id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 7
2.47k
| messages
listlengths 3
3
|
---|---|---|---|
917 | {
"selfies": "[C][C][=Branch1][C][=O][O][C][C][O][C][Branch2][Ring2][=Branch2][N][C][Branch1][C][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Branch1][Ring1][C][#N][C][Ring2][Ring1][=Branch1][=S][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring2][Ring2][Branch1][O][C][Branch1][C][C][=O]",
"smiles": "CC(=O)OCC1OC(n2c(C)c(C(C)=O)c(-c3cccc4ccccc34)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O"
} | [6-(3-acetyl-5-cyano-2-methyl-4-naphthalen-1-yl-6-sulfanylidenepyridin-1-yl)-3,4,5-triacetyloxyoxan-2-yl]methyl acetate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "[6-(3-acetyl-5-cyano-2-methyl-4-naphthalen-1-yl-6-sulfanylidenepyridin-1-yl)-3,4,5-triacetyloxyoxan-2-yl]methyl acetate",
"role": "assistant"
}
] |
918 | {
"selfies": "[C][C][C][C][=Branch1][C][=O][N][C][C][C][N][C][Ring1][=Branch1][=C][Ring1][O][C][#N]",
"smiles": "CC1CC(=O)N2CCCNC2=C1C#N"
} | 8-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "8-methyl-6-oxo-1,2,3,4,7,8-hexahydropyrido[1,2-a]pyrimidine-9-carbonitrile",
"role": "assistant"
}
] |
919 | {
"selfies": "[O][C][=C][C][=C][C][=C][C][=C][Branch1][C][Br][N][=C][Ring1][O][Ring1][#Branch1]",
"smiles": "Oc1cccc2ccc(Br)nc12"
} | 2-bromoquinolin-8-ol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "2-bromoquinolin-8-ol",
"role": "assistant"
}
] |
920 | {
"selfies": "[O][=C][C][S][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][N][Ring1][=C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N]",
"smiles": "O=C1CSC(c2ccccc2[N+](=O)[O-])N1c1ccc(-c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1"
} | 2-(2-nitrophenyl)-3-[4-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]phenyl]-1,3-thiazolidin-4-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "2-(2-nitrophenyl)-3-[4-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]phenyl]-1,3-thiazolidin-4-one",
"role": "assistant"
}
] |
921 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring2][S][C][S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=O][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring2][Ring1][O][C]",
"smiles": "COc1ccc(C2SCC(=O)N2c2ccc(-n3c(-c4ccccc4)nc4ccccc4c3=O)cc2)cc1OC"
} | 2-(3,4-dimethoxyphenyl)-3-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]-1,3-thiazolidin-4-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "2-(3,4-dimethoxyphenyl)-3-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]-1,3-thiazolidin-4-one",
"role": "assistant"
}
] |
922 | {
"selfies": "[O][=C][C][=C][N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2]",
"smiles": "O=c1ccn2n1Cc1ccccc1C2"
} | 5,10-dihydropyrazolo[1,2-b]phthalazin-3-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "5,10-dihydropyrazolo[1,2-b]phthalazin-3-one",
"role": "assistant"
}
] |
923 | {
"selfies": "[N][C][=N][C][Branch1][C][Cl][=C][C][Branch1][=C][O][C][C][Branch1][Ring1][C][O][C][C][=C][C][Ring1][#Branch1][=N][Ring1][S]",
"smiles": "Nc1nc(Cl)cc(OCC2(CO)CC=CC2)n1"
} | [1-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]cyclopent-3-en-1-yl]methanol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "[1-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]cyclopent-3-en-1-yl]methanol",
"role": "assistant"
}
] |
924 | {
"selfies": "[C][C][=C][C][Branch1][C][C][=N][C][Branch2][=Branch1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring2][C][=N][Ring2][Ring2][=N]",
"smiles": "Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4nc5ccccc5c(Nc5ccc(S(N)(=O)=O)cc5)c4c3)cc2)n1"
} | N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-2-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-2-carboxamide",
"role": "assistant"
}
] |
925 | {
"selfies": "[C][C][O][C][C][C][C][C][C][C][C][C][Branch1][Ring2][O][C][C][Branch1][Ring2][O][Ring1][=N][C][Ring1][=Branch2][C][Ring1][N][Ring1][#C]",
"smiles": "CCOC12CCC3CC4CCC(OCC)(O1)C4C32"
} | (4R,6S)-4,6-diethoxy-5-oxatetracyclo[7.2.1.04,11.06,10]dodecane | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "(4R,6S)-4,6-diethoxy-5-oxatetracyclo[7.2.1.04,11.06,10]dodecane",
"role": "assistant"
}
] |
926 | {
"selfies": "[C][N][Branch1][C][C][C][C][=C][C][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][#Branch1][C][N][Branch1][C][C][C][=C][Ring2][Ring1][Ring2][O]",
"smiles": "CN(C)Cc1cc(C(=O)C=Cc2ccccc2)cc(CN(C)C)c1O"
} | 1-[3,5-bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-phenylprop-2-en-1-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "1-[3,5-bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-phenylprop-2-en-1-one",
"role": "assistant"
}
] |
927 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][P][=Branch1][C][=S][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][S][C][=C][Ring2][Ring1][=Branch1]",
"smiles": "COc1ccc(P2(=S)Oc3ccccc3-c3ccccc3O2)cc1"
} | 6-(4-methoxyphenyl)-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "6-(4-methoxyphenyl)-6-sulfanylidenebenzo[d][1,3,2]benzodioxaphosphepine",
"role": "assistant"
}
] |
928 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][C][=Branch1][C][=O][N][N][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N]",
"smiles": "COc1ccc(NC(=O)CC(=O)N2N=C(N3CCCCC3)CC2c2ccccc2)cc1"
} | N-(4-methoxyphenyl)-3-oxo-3-(3-phenyl-5-piperidin-1-yl-3,4-dihydropyrazol-2-yl)propanamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "N-(4-methoxyphenyl)-3-oxo-3-(3-phenyl-5-piperidin-1-yl-3,4-dihydropyrazol-2-yl)propanamide",
"role": "assistant"
}
] |
929 | {
"selfies": "[C][#C][C][C][C][O][C][=N][C][=C][C][=N][Ring1][=Branch1]",
"smiles": "C#CCCCOc1ncccn1"
} | 2-pent-4-ynoxypyrimidine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "2-pent-4-ynoxypyrimidine",
"role": "assistant"
}
] |
930 | {
"selfies": "[O][=C][C][C][C][N][C][=Branch1][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][Ring1][=C]",
"smiles": "O=C1CCCn2c(nc3ccccc32)N1"
} | 1,3,4,5-tetrahydro-[1,3]diazepino[1,2-a]benzimidazol-2-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "1,3,4,5-tetrahydro-[1,3]diazepino[1,2-a]benzimidazol-2-one",
"role": "assistant"
}
] |
932 | {
"selfies": "[O][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][=N][N][=C][Ring1][Branch1][C][C][S][C][N][Ring1][P][Ring1][Branch1]",
"smiles": "O=C1c2ccccc2-n2nnnc2C2CSCN12"
} | 9-thia-2,3,4,5,11-pentazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "9-thia-2,3,4,5,11-pentazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one",
"role": "assistant"
}
] |
933 | {
"selfies": "[C][O][C][C][C][Branch2][=Branch2][#Branch2][O][C][C][Branch1][C][C][O][C][Branch2][Branch2][Branch2][O][C][C][Branch1][C][C][O][C][Branch2][#Branch1][=Branch1][O][C][C][Branch1][C][O][C][C][Branch2][=Branch1][Branch1][O][C][C][C][C][Branch1][C][C][C][=Branch2][Branch1][Branch1][=C][C][C][Branch1][C][O][C][Ring1][Branch2][C][C][Branch1][S][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][Branch1][C][O][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][C][Ring2][Ring1][#Branch2][Ring1][#Branch2][O][C][Ring2][Ring2][Ring2][O][C][Ring2][Ring2][N][C][C][C][Ring2][Branch1][Branch1][O][C][C][C][Ring2][Branch1][#C][O][C][O][C][Branch1][C][C][C][Ring2][=Branch1][=Branch2][O]",
"smiles": "COC1CC(OC2C(C)OC(OC3C(C)OC(OC4C(O)CC(OC5CCC6(C)C(=CCC7(O)C6CC(OC(=O)C=Cc6ccccc6)C6(C)C(O)(C(C)=O)CCC76O)C5)OC4C)CC3OC)CC2OC)OC(C)C1O"
} | [(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[4-hydroxy-5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 3-phenylprop-2-enoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "[(3S,8S,9R,10R,12R,13S,14R,17S)-17-acetyl-8,14,17-trihydroxy-3-[4-hydroxy-5-[5-[5-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] 3-phenylprop-2-enoate",
"role": "assistant"
}
] |
934 | {
"selfies": "[C][C][=C][Branch1][Ring1][C][#N][C][=Branch1][C][=O][N][Branch1][=C][N][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][Ring1][=C][O][C][=Branch2][Ring2][Ring2][=C][C][=Branch1][C][=O][N][Branch1][=C][N][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][Ring1][C][C][=N][C][=C][N][=C][Ring2][Ring1][=N][Ring1][=Branch1]",
"smiles": "CC1=C(C#N)C(=O)N(N=Cc2ccc(Cl)cc2)C(=O)C1=c1oc(=C2C(=O)N(N=Cc3ccc(Cl)cc3)C(=O)C(C#N)=C2C)c2nccnc12"
} | 1-[(4-chlorophenyl)methylideneamino]-5-[5-[1-[(4-chlorophenyl)methylideneamino]-5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene]furo[3,4-b]pyrazin-7-ylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "1-[(4-chlorophenyl)methylideneamino]-5-[5-[1-[(4-chlorophenyl)methylideneamino]-5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene]furo[3,4-b]pyrazin-7-ylidene]-4-methyl-2,6-dioxopyridine-3-carbonitrile",
"role": "assistant"
}
] |
935 | {
"selfies": "[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][=N+1][=N-1]",
"smiles": "CS(=O)(=O)OC1C(O)c2ccccc2C1N=[N+]=[N-]"
} | [(1S,2R,3R)-1-azido-3-hydroxy-2,3-dihydro-1H-inden-2-yl] methanesulfonate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "[(1S,2R,3R)-1-azido-3-hydroxy-2,3-dihydro-1H-inden-2-yl] methanesulfonate",
"role": "assistant"
}
] |
936 | {
"selfies": "[C][C][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][O][Branch1][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][C][Ring2][Ring2][=Branch1][O][C][Branch1][C][C][=O]",
"smiles": "CC(=O)OCC12Cc3ccc(C)c(O)c3C1(C)C(OC(C)=O)C1(O)C(OC(C)=O)C(C)C(OC(=O)c3ccccc3)C1C2OC(C)=O"
} | [(1S,2R,3R,3aS,4R,4aR,9aR,10R,10aR)-3,4,10-triacetyloxy-9a-(acetyloxymethyl)-3a,5-dihydroxy-2,4a,6-trimethyl-2,3,4,9,10,10a-hexahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "[(1S,2R,3R,3aS,4R,4aR,9aR,10R,10aR)-3,4,10-triacetyloxy-9a-(acetyloxymethyl)-3a,5-dihydroxy-2,4a,6-trimethyl-2,3,4,9,10,10a-hexahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate",
"role": "assistant"
}
] |
937 | {
"selfies": "[O][=C][C][C][=C][Branch2][Ring1][=N][S][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][N][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][C][C][C][C][Ring2][Ring1][=Branch1]",
"smiles": "O=c1c2c3c(sc2nc2n1N=CN(c1ccc(F)cc1)C2)CCCC3"
} | 5-(4-fluorophenyl)-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "5-(4-fluorophenyl)-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one",
"role": "assistant"
}
] |
938 | {
"selfies": "[C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][Branch2][Ring1][C][C][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][Ring1][P][O][C][Branch1][=Branch1][C][=C][Ring2][Ring1][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=N][C]",
"smiles": "Cc1cc2c(c(C=Nc3ccc([N+](=O)[O-])cc3)c1)OC1(C=C2)Oc2ccccc2C(=O)N1C"
} | 3,6'-dimethyl-8'-[(4-nitrophenyl)iminomethyl]spiro[1,3-benzoxazine-2,2'-chromene]-4-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "3,6'-dimethyl-8'-[(4-nitrophenyl)iminomethyl]spiro[1,3-benzoxazine-2,2'-chromene]-4-one",
"role": "assistant"
}
] |
939 | {
"selfies": "[Cl][C][=C][C][=C][Branch2][Ring1][N][C][=N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1]",
"smiles": "Clc1ccc(C=Nc2ccc(Oc3ccc(Cl)cc3)c(Cl)c2)cc1"
} | N-[3-chloro-4-(4-chlorophenoxy)phenyl]-1-(4-chlorophenyl)methanimine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "N-[3-chloro-4-(4-chlorophenoxy)phenyl]-1-(4-chlorophenyl)methanimine",
"role": "assistant"
}
] |
940 | {
"selfies": "[C][N][Branch2][Ring1][=Branch1][C][C][=C][N][=C][N][=C][Branch1][C][N][N][=C][Branch1][C][N][C][Ring1][Branch2][=N][Ring1][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][Ring1]",
"smiles": "CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCS(=O)(=O)O)C(=O)O)cc1"
} | 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-sulfobutanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-sulfobutanoic acid",
"role": "assistant"
}
] |
941 | {
"selfies": "[C][C][=N][N][Branch2][Ring1][N][C][=N][C][Branch1][C][N][=N][C][Branch1][#C][C][Branch1][Ring1][C][#N][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][Ring1][P][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][Branch2]",
"smiles": "CC1=NN(c2nc(N)nc(C(C#N)=Cc3ccncc3)n2)C(C)(C)C1"
} | 2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-pyridin-4-ylprop-2-enenitrile | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "2-[4-amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-pyridin-4-ylprop-2-enenitrile",
"role": "assistant"
}
] |
942 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][=C][C][=N][N][C][Branch1][C][C][=N][NH1][C][Ring1][=Branch1][=O][C][=C][Ring1][#C]",
"smiles": "COc1ccc(C=Nn2c(C)n[nH]c2=O)cc1"
} | 4-[(4-methoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "4-[(4-methoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",
"role": "assistant"
}
] |
943 | {
"selfies": "[C][C][O][C][O][C][Branch1][#C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][O][C][C][Ring1][#C][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O]",
"smiles": "CCOC1OC(COC(=O)C(C)(C)C)C(O)CC1n1cc(C)c(=O)[nH]c1=O"
} | [6-ethoxy-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl 2,2-dimethylpropanoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "[6-ethoxy-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl 2,2-dimethylpropanoate",
"role": "assistant"
}
] |
944 | {
"selfies": "[C][Si][Branch1][C][C][Branch2][Ring1][Ring2][N][Si][Branch1][C][C][Branch1][C][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "C[Si](C)(N[Si](C)(C)OCCc1ccccc1)OCCc1ccccc1"
} | 2-[[[dimethyl(2-phenylethoxy)silyl]amino]-dimethylsilyl]oxyethylbenzene | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "2-[[[dimethyl(2-phenylethoxy)silyl]amino]-dimethylsilyl]oxyethylbenzene",
"role": "assistant"
}
] |
945 | {
"selfies": "[N][#C][C][C][N][Branch1][Branch1][C][C][C][#N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][Branch1][=C][N][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1]",
"smiles": "N#CCCN(CCC#N)c1ccc(C(N=Nc2ccc(Cl)cc2)=Nc2ccccc2)cc1"
} | 4-[bis(2-cyanoethyl)amino]-N-(4-chlorophenyl)imino-N'-phenylbenzenecarboximidamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "4-[bis(2-cyanoethyl)amino]-N-(4-chlorophenyl)imino-N'-phenylbenzenecarboximidamide",
"role": "assistant"
}
] |
946 | {
"selfies": "[O][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][N][S][C][C][N][C][C][O][C][C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=S][N][Ring2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=c1c(-c2ccccc2)c(SCCN2CCOCC2)n(-c2ccccc2)c(=S)n1-c1ccccc1"
} | 6-(2-morpholin-4-ylethylsulfanyl)-1,3,5-triphenyl-2-sulfanylidenepyrimidin-4-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "6-(2-morpholin-4-ylethylsulfanyl)-1,3,5-triphenyl-2-sulfanylidenepyrimidin-4-one",
"role": "assistant"
}
] |
947 | {
"selfies": "[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][Ring1][=N][N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C]",
"smiles": "CN(C)c1ccc(C(=NN)c2ccc(N(C)C)cc2)cc1"
} | 4-[C-[4-(dimethylamino)phenyl]carbonohydrazonoyl]-N,N-dimethylaniline | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "4-[C-[4-(dimethylamino)phenyl]carbonohydrazonoyl]-N,N-dimethylaniline",
"role": "assistant"
}
] |
948 | {
"selfies": "[C][C][O][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][O][N][Ring1][#Branch2][O][Ring2][Ring1][Ring2]",
"smiles": "CCOC1CC(c2ccccc2)C2(C)CC(C(=O)OC)ON2O1"
} | methyl (2R,3aS,4S,6R)-6-ethoxy-3a-methyl-4-phenyl-3,4,5,6-tetrahydro-2H-[1,2]oxazolo[2,3-b]oxazine-2-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "methyl (2R,3aS,4S,6R)-6-ethoxy-3a-methyl-4-phenyl-3,4,5,6-tetrahydro-2H-[1,2]oxazolo[2,3-b]oxazine-2-carboxylate",
"role": "assistant"
}
] |
949 | {
"selfies": "[C][O][C][C][=C][C][=N][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][=C][N][Ring1][P][C][=Ring2][Ring1][Branch1]",
"smiles": "COc1ccc2nc(-c3ccc(OC(=O)N(C)C)cc3)cn2c1"
} | [4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "[4-(6-methoxyimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate",
"role": "assistant"
}
] |
950 | {
"selfies": "[C][C][O][N][C][=C][Branch2][Ring1][Branch2][C][C][Branch1][C][O][C][=Branch1][C][=O][O][C][C][Branch1][C][O][C][O][C][Ring1][=Branch1][Ring1][O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1]",
"smiles": "CCOn1cc(CC2(O)C(=O)OC3C(O)COC32O)c2ccccc21"
} | (3S,6S,6aS)-6-[(1-ethoxyindol-3-yl)methyl]-3,6,6a-trihydroxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "(3S,6S,6aS)-6-[(1-ethoxyindol-3-yl)methyl]-3,6,6a-trihydroxy-3,3a-dihydro-2H-furo[3,2-b]furan-5-one",
"role": "assistant"
}
] |
951 | {
"selfies": "[C][C][=C][Branch1][=Branch2][C][=C][Branch1][Ring1][C][#N][C][#N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][#C][C]",
"smiles": "Cc1c(C=C(C#N)C#N)c(=O)n(C)c(=O)n1C"
} | 2-[(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methylidene]propanedinitrile | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "2-[(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)methylidene]propanedinitrile",
"role": "assistant"
}
] |
954 | {
"selfies": "[N][#C][C][=C][Branch2][Ring1][Branch1][N][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][C][Branch1][C][N][=O][S][C][=C][Ring2][Ring1][Ring1][C][C][C][C][Ring1][=Branch1]",
"smiles": "N#Cc1c(N=c2oc3ccccc3cc2C(N)=O)sc2c1CCCC2"
} | 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]chromene-3-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]chromene-3-carboxamide",
"role": "assistant"
}
] |
955 | {
"selfies": "[C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=C][S][S][Ring1][S]",
"smiles": "C1=C(c2cccs2)C(c2cccs2)=CSS1"
} | 4,5-dithiophen-2-yldithiine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "4,5-dithiophen-2-yldithiine",
"role": "assistant"
}
] |
956 | {
"selfies": "[C][S][C][=C][C][=C][Branch2][Ring2][O][C][=C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring1][Ring2][C][=N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][=C][Ring1][Branch2][S][Ring1][O][C][Ring2][Ring1][=Branch1][=O][C][=C][Ring2][Ring1][=C]",
"smiles": "CSc1ccc(C=C2N=C(c3ccccc3)N(c3nc4cc(Cl)c(F)cc4s3)C2=O)cc1"
} | 3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "3-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one",
"role": "assistant"
}
] |
957 | {
"selfies": "[C][=C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Ring1][C][C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][O][=O][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring2][Ring1][Ring2][O][C]",
"smiles": "C=CC(C)(C)c1cc(C2COc3cc(O)ccc3C2=O)c(O)c(O)c1OC"
} | (3R)-3-[2,3-dihydroxy-4-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-7-hydroxy-2,3-dihydrochromen-4-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "(3R)-3-[2,3-dihydroxy-4-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-7-hydroxy-2,3-dihydrochromen-4-one",
"role": "assistant"
}
] |
958 | {
"selfies": "[C][C][=C][C][=C][Branch2][=Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Branch2][Ring1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C][C][Ring1][P][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][N]",
"smiles": "Cc1ccc(S(=O)(=O)N2CC3CCC4(CO[Si](C)(C)C(C)(C)C)C3C2C(c2ccccc2)N4S(=O)(=O)c2ccc(C)cc2)cc1"
} | [(1S,3S,4R,7R,10S)-2,5-bis-(4-methylphenyl)sulfonyl-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy-tert-butyl-dimethylsilane | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "[(1S,3S,4R,7R,10S)-2,5-bis-(4-methylphenyl)sulfonyl-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy-tert-butyl-dimethylsilane",
"role": "assistant"
}
] |
959 | {
"selfies": "[C][C][=Branch1][S][=C][Si][Branch1][C][C][Branch1][C][C][C][=C][C][=C][O][Ring1][Branch1][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][C][O]",
"smiles": "CC(=C[Si](C)(C)c1ccco1)C(C)(O)C(C)O"
} | (2S)-5-[furan-2-yl(dimethyl)silyl]-3,4-dimethylpent-4-ene-2,3-diol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "(2S)-5-[furan-2-yl(dimethyl)silyl]-3,4-dimethylpent-4-ene-2,3-diol",
"role": "assistant"
}
] |
960 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][S][C][=Ring1][=N][N][=C][N][Ring1][P][C][Ring2][Ring1][Branch1][=O]",
"smiles": "CCOC(=O)c1cnc2c3c(-c4ccc(OC)cc4)csc3ncn2c1=O"
} | ethyl 3-(4-methoxyphenyl)-10-oxo-5-thia-7,9,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "ethyl 3-(4-methoxyphenyl)-10-oxo-5-thia-7,9,13-triazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7,11-pentaene-11-carboxylate",
"role": "assistant"
}
] |
961 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Branch1][P][O][C][=C][C][=C][C][Branch2][Branch1][Ring2][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][#C][O][N][Ring2][Ring1][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring2][C][C][=C][Ring2][Ring2][=Branch2]",
"smiles": "COc1ccc(Oc2cccc(C3C4C(=O)N(c5ccc(C)c(Cl)c5)C(=O)C4ON3C(C(N)=O)c3ccccc3)c2)cc1"
} | 2-[5-(3-chloro-4-methylphenyl)-3-[3-(4-methoxyphenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "2-[5-(3-chloro-4-methylphenyl)-3-[3-(4-methoxyphenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",
"role": "assistant"
}
] |
962 | {
"selfies": "[O][=C][Branch1][#C][N][C][=C][C][=C][N][=C][S][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][S][C][=N][C][=C][N][Ring1][Branch1][S][Ring1][N][=Branch1][C][=O][=O]",
"smiles": "O=C(Nc1ccc2ncsc2c1)c1cc2c(cc1Cl)Sc1nccn1S2(=O)=O"
} | N-(1,3-benzothiazol-6-yl)-8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "N-(1,3-benzothiazol-6-yl)-8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide",
"role": "assistant"
}
] |
963 | {
"selfies": "[C][O][C][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][C][Branch1][Branch1][S][C][C][S][C][C][C][Branch1][C][O][C][Ring1][=N][Ring1][P][C]",
"smiles": "COC1C(=O)CC2=C(C)C(SCCS)CCC(O)C21C"
} | (3S,3aR,4S)-4-hydroxy-3-methoxy-3a,8-dimethyl-7-(2-sulfanylethylsulfanyl)-1,3,4,5,6,7-hexahydroazulen-2-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "(3S,3aR,4S)-4-hydroxy-3-methoxy-3a,8-dimethyl-7-(2-sulfanylethylsulfanyl)-1,3,4,5,6,7-hexahydroazulen-2-one",
"role": "assistant"
}
] |
964 | {
"selfies": "[C][C][Branch1][C][C][C][C][C][C][Branch1][C][C][C][C][C][C][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=C][Ring1][P][C]",
"smiles": "CC(C)CCCC(C)C1CCC2N=C(Nc3ccccc3)CCCC21C"
} | (5aR,6R,8aR)-5a-methyl-6-(6-methylheptan-2-yl)-N-phenyl-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[b]azepin-2-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "(5aR,6R,8aR)-5a-methyl-6-(6-methylheptan-2-yl)-N-phenyl-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[b]azepin-2-amine",
"role": "assistant"
}
] |
965 | {
"selfies": "[N][#C][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][Ring1][C][#N][=C][Ring2][Ring1][=Branch1][N]",
"smiles": "N#CC1=C2Oc3ccccc3N2C(c2ccc(Cl)cc2)C(C#N)=C1N"
} | 3-amino-1-(4-chlorophenyl)-1H-pyrido[2,1-b][1,3]benzoxazole-2,4-dicarbonitrile | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "3-amino-1-(4-chlorophenyl)-1H-pyrido[2,1-b][1,3]benzoxazole-2,4-dicarbonitrile",
"role": "assistant"
}
] |
966 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch2]",
"smiles": "COc1ccc(C(=O)c2nc3ccccc3nc2N2CCN(C)CC2)cc1"
} | (4-methoxyphenyl)-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanone | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "(4-methoxyphenyl)-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]methanone",
"role": "assistant"
}
] |
967 | {
"selfies": "[C][O][C][=C][C][=N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][Branch2][Ring1][Ring1][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][O][C]",
"smiles": "COc1cc2nc(-c3cccs3)nc(N3CCN(c4ccccc4)CC3)c2cc1OC"
} | 6,7-dimethoxy-4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "6,7-dimethoxy-4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline",
"role": "assistant"
}
] |
968 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][=C][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N]",
"smiles": "COc1ccccc1C#CC=CC#Cc1ccccc1C#N"
} | 2-[6-(2-methoxyphenyl)hex-3-en-1,5-diynyl]benzonitrile | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "2-[6-(2-methoxyphenyl)hex-3-en-1,5-diynyl]benzonitrile",
"role": "assistant"
}
] |
969 | {
"selfies": "[C][C][=C][N][=C][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][#Branch2][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "Cc1cnc2oc3ccc(O)cc3c2c1-c1ccccc1"
} | 3-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "3-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol",
"role": "assistant"
}
] |
971 | {
"selfies": "[N][C][=C][C][=C][C][Branch2][Ring1][#C][P][=Branch1][C][=O][Branch1][=N][N][C][=N][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][N][C][=N][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][=C][Ring2][Ring1][Branch2]",
"smiles": "Nc1cccc(P(=O)(Nc2ncc(Cl)cn2)Nc2ncc(Cl)cn2)c1"
} | N-[(3-aminophenyl)-[(5-chloropyrimidin-2-yl)amino]phosphoryl]-5-chloropyrimidin-2-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "N-[(3-aminophenyl)-[(5-chloropyrimidin-2-yl)amino]phosphoryl]-5-chloropyrimidin-2-amine",
"role": "assistant"
}
] |
972 | {
"selfies": "[C][N+1][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2]",
"smiles": "C[n+]1cccc(C#N)c1"
} | 1-methylpyridin-1-ium-3-carbonitrile | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "1-methylpyridin-1-ium-3-carbonitrile",
"role": "assistant"
}
] |
973 | {
"selfies": "[O][=C][Branch1][C][O][C][Branch1][O][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(O)C(N=Cc1ccccc1)C(O)c1ccccc1"
} | 2-(benzylideneamino)-3-hydroxy-3-phenylpropanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Turn the given SMILES symbol of a molecule <molecule_2d> into its respective IUPAC name.",
"role": "user"
},
{
"content": "2-(benzylideneamino)-3-hydroxy-3-phenylpropanoic acid",
"role": "assistant"
}
] |
974 | {
"selfies": "[C][O][C][=C][C][=C][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][N][=C][Ring1][S]",
"smiles": "COc1ccc2[nH]c3cc(Cl)ccc3c(=O)c2c1"
} | 6-chloro-2-methoxy-10H-acridin-9-one | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "6-chloro-2-methoxy-10H-acridin-9-one",
"role": "assistant"
}
] |
975 | {
"selfies": "[C][N][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][N][C][C][O][C][=C][Ring1][O]",
"smiles": "CN(C)c1ccc(CNCCO)cc1"
} | 2-[[4-(dimethylamino)phenyl]methylamino]ethanol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "2-[[4-(dimethylamino)phenyl]methylamino]ethanol",
"role": "assistant"
}
] |
976 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][N][C][C][Ring1][=Branch1]",
"smiles": "CCOC(=O)C(C)NC(=O)C1CCNCC1"
} | ethyl 2-(piperidine-4-carbonylamino)propanoate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "ethyl 2-(piperidine-4-carbonylamino)propanoate",
"role": "assistant"
}
] |
977 | {
"selfies": "[C][=C][C][N][Branch2][Ring1][Ring1][C][C][C][C][C][C][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1]",
"smiles": "C1=CCN(CCCCCCCCCCN2CCCCC2)C=C1"
} | 1-(10-piperidin-1-yldecyl)-2H-pyridine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "1-(10-piperidin-1-yldecyl)-2H-pyridine",
"role": "assistant"
}
] |
978 | {
"selfies": "[N][O][C][C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "NOCCCC(c1ccccc1)c1ccccc1"
} | O-(4,4-diphenylbutyl)hydroxylamine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "O-(4,4-diphenylbutyl)hydroxylamine",
"role": "assistant"
}
] |
979 | {
"selfies": "[Br][C][=N][C][=N][C][=N][C][Ring1][Branch1][C][Branch1][C][Br][=N][Ring1][#Branch2]",
"smiles": "BrC1=NC2=NC=NC2C(Br)=N1"
} | 2,6-dibromo-5H-purine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "2,6-dibromo-5H-purine",
"role": "assistant"
}
] |
980 | {
"selfies": "[C][=C][C][=C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][#Branch2][N][Ring1][=N][C][=C][Ring1][P]",
"smiles": "C1=CC2=CN3c4ccccc4C=CC3N2C=C1"
} | 1,11-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,12,14,16-heptaene | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "1,11-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,12,14,16-heptaene",
"role": "assistant"
}
] |
981 | {
"selfies": "[C][C][C][N][Branch1][Ring2][C][C][C][C][C][N][C][Branch1][=N][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=C][Ring1][=N][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C]",
"smiles": "CCCN(CCC)CCn1c(C(O)c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C"
} | 7-[2-(dipropylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "7-[2-(dipropylamino)ethyl]-8-[hydroxy(phenyl)methyl]-1,3-dimethylpurine-2,6-dione",
"role": "assistant"
}
] |
982 | {
"selfies": "[N][=C][Branch1][C][N][S][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][O][Ring1][Branch2]",
"smiles": "N=C(N)SCc1ccc([N+](=O)[O-])o1"
} | (5-nitrofuran-2-yl)methyl carbamimidothioate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "(5-nitrofuran-2-yl)methyl carbamimidothioate",
"role": "assistant"
}
] |
983 | {
"selfies": "[O][=C][Branch2][Ring1][#Branch1][N][C][=C][C][=C][Branch1][N][C][=N][C][C][Branch1][C][O][C][N][Ring1][#Branch1][C][=C][Ring1][=N][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][C][=N][C][C][Branch1][C][O][C][N][Ring1][#Branch1][C][=C][Ring1][=N][C][Branch1][C][Cl][=C][Ring2][Ring1][#Branch1]",
"smiles": "O=C(Nc1ccc(C2=NCC(O)CN2)cc1)c1ccc(C(=O)Nc2ccc(C3=NCC(O)CN3)cc2)c(Cl)c1"
} | 2-chloro-1-N,4-N-bis[4-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "2-chloro-1-N,4-N-bis[4-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzene-1,4-dicarboxamide",
"role": "assistant"
}
] |
984 | {
"selfies": "[C][C][Branch1][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][O][Ring1][N]",
"smiles": "CC1(C)C[N+](C)(C)C2(CCCC2)O1"
} | 2,2,4,4-tetramethyl-1-oxa-4-azoniaspiro[4.4]nonane | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "2,2,4,4-tetramethyl-1-oxa-4-azoniaspiro[4.4]nonane",
"role": "assistant"
}
] |
985 | {
"selfies": "[F][C][C][C][S][C][=N][C][=N][C][=N][C][=N][C][Ring1][Branch1][Ring1][=Branch2]",
"smiles": "FCCCSC1=NC=NC2=NC=NC21"
} | 6-(3-fluoropropylsulfanyl)-5H-purine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "6-(3-fluoropropylsulfanyl)-5H-purine",
"role": "assistant"
}
] |
986 | {
"selfies": "[O][=C][Branch2][#Branch1][Branch1][N][C][C][C][C][C][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][N][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][C][C][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(NCCCCC(NC(=O)OCc1ccccc1)C(=O)NCCCCCCNCCCCCCNC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1"
} | benzyl N-[1-[6-[6-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]hexylamino]hexylamino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> The above is a SMILES representation. Write the IUPAC name of the corresponding molecule.",
"role": "user"
},
{
"content": "benzyl N-[1-[6-[6-[2,6-bis(phenylmethoxycarbonylamino)hexanoylamino]hexylamino]hexylamino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamate",
"role": "assistant"
}
] |
988 | {
"selfies": "[C][C][C][C][C][C][Branch2][Ring1][Branch2][C][C][N+1][Branch1][C][C][Branch1][N][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C][C][Ring2][Ring1][Ring1]",
"smiles": "CC1CCCC2(CC[N+](C)(CCC[N+](C)(C)C)CC2)C1"
} | 3-(3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl)propyl-trimethylazanium | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the following SMILES notation <molecule_2d> into its IUPAC nomenclature.",
"role": "user"
},
{
"content": "3-(3,10-dimethyl-3-azoniaspiro[5.5]undecan-3-yl)propyl-trimethylazanium",
"role": "assistant"
}
] |
989 | {
"selfies": "[C][C][=C][N+1][=C][Branch1][=N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][S][Ring1][=N]",
"smiles": "Cc1c[n+]2c(ccc3ccccc32)s1"
} | 2-methyl-[1,3]thiazolo[3,2-a]quinolin-10-ium | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "2-methyl-[1,3]thiazolo[3,2-a]quinolin-10-ium",
"role": "assistant"
}
] |
990 | {
"selfies": "[C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1]",
"smiles": "Cc1ccc(C)c(C(=N)c2ccccc2Cc2ccccc2)c1"
} | (2-benzylphenyl)-(2,5-dimethylphenyl)methanimine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "(2-benzylphenyl)-(2,5-dimethylphenyl)methanimine",
"role": "assistant"
}
] |
991 | {
"selfies": "[C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][Hg][Cl]",
"smiles": "CC(C)C(=O)NC1CCCCC1[Hg]Cl"
} | chloro-[2-(2-methylpropanoylamino)cyclohexyl]mercury | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "chloro-[2-(2-methylpropanoylamino)cyclohexyl]mercury",
"role": "assistant"
}
] |
993 | {
"selfies": "[C][C][S][C][=C][N+1][=Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]",
"smiles": "Cc1scc[n+]1Cc1ccccc1[N+](=O)[O-]"
} | 2-methyl-3-[(2-nitrophenyl)methyl]-1,3-thiazol-3-ium | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "2-methyl-3-[(2-nitrophenyl)methyl]-1,3-thiazol-3-ium",
"role": "assistant"
}
] |
994 | {
"selfies": "[C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring1][S]",
"smiles": "C[N+](C)(C)CCCN1c2ccccc2S(=O)c2ccc(Cl)cc21"
} | 3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "3-(2-chloro-5-oxophenothiazin-10-yl)propyl-trimethylazanium",
"role": "assistant"
}
] |
995 | {
"selfies": "[C][C][C][=C][N+1][Branch2][Ring1][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][C][C][=N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2]",
"smiles": "CCc1c[n+](CCc2ccc(OC)c(OC)c2)ccc1C=Nc1ccc(N(C)C)cc1"
} | 4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethylpyridin-1-ium-4-yl]methylideneamino]-N,N-dimethylaniline | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethylpyridin-1-ium-4-yl]methylideneamino]-N,N-dimethylaniline",
"role": "assistant"
}
] |
996 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][Br][P+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CCOC(=O)C(C)(Br)[P+](c1ccccc1)(c1ccccc1)c1ccccc1"
} | (2-bromo-1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "(2-bromo-1-ethoxy-1-oxopropan-2-yl)-triphenylphosphanium",
"role": "assistant"
}
] |
998 | {
"selfies": "[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch1][=C][C][=C][O][C][=C][C][=C][C][=N+1][Ring1][=Branch2][Ring1][=Branch1][=C][Ring1][#C]",
"smiles": "O=[N+]([O-])c1cccc(-c2coc3cccc[n+]23)c1"
} | 3-(3-nitrophenyl)-[1,3]oxazolo[3,2-a]pyridin-4-ium | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "3-(3-nitrophenyl)-[1,3]oxazolo[3,2-a]pyridin-4-ium",
"role": "assistant"
}
] |
999 | {
"selfies": "[C][N+1][Branch1][C][C][Branch1][C][C][BH2-1][Br]",
"smiles": "C[N+](C)(C)[BH2-]Br"
} | bromo-(trimethylazaniumyl)boranuide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "bromo-(trimethylazaniumyl)boranuide",
"role": "assistant"
}
] |
1,000 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][=N][O][C][C][Branch1][Branch2][C][=C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][#Branch2]",
"smiles": "COc1ccc(-c2c(C(=O)O)cc(OC)c(OC)c2OC)c(C=CC(=O)O)c1"
} | 2-[2-(2-carboxyethenyl)-4-methoxyphenyl]-3,4,5-trimethoxybenzoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "2-[2-(2-carboxyethenyl)-4-methoxyphenyl]-3,4,5-trimethoxybenzoic acid",
"role": "assistant"
}
] |
1,001 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][C][=C][Branch1][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Ring1][=Branch2][C][N]",
"smiles": "COC(=O)c1cc(C)n(C)c(=O)c1CN"
} | methyl 3-(aminomethyl)-1,6-dimethyl-2-oxopyridine-4-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "methyl 3-(aminomethyl)-1,6-dimethyl-2-oxopyridine-4-carboxylate",
"role": "assistant"
}
] |
1,002 | {
"selfies": "[O][=S][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=S1(=O)c2ccccc2NC(c2ccccc2)C1c1ccccc1"
} | 2,3-diphenyl-3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "2,3-diphenyl-3,4-dihydro-2H-1lambda6,4-benzothiazine 1,1-dioxide",
"role": "assistant"
}
] |
1,003 | {
"selfies": "[C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][C][Branch1][Ring1][S][C][=N+1][Branch1][C][C][C][Ring1][Branch2][=C][Ring1][N]",
"smiles": "CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc2sc(SC)[n+](C)c2c1"
} | N-hexadecyl-N,3-dimethyl-2-methylsulfanyl-1,3-benzothiazol-3-ium-5-sulfonamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "N-hexadecyl-N,3-dimethyl-2-methylsulfanyl-1,3-benzothiazol-3-ium-5-sulfonamide",
"role": "assistant"
}
] |
1,004 | {
"selfies": "[C][C][N][C][C][C][C][Branch2][Ring2][Branch1][N][C][=N][C][Branch1][S][N][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1][C][Ring2][Ring1][O]",
"smiles": "CCN1CCCC(Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc3ccc(Cl)cc23)C1"
} | 6-chloro-2-N-(3,5-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "6-chloro-2-N-(3,5-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)quinazoline-2,4-diamine",
"role": "assistant"
}
] |
1,005 | {
"selfies": "[C][N+1][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=Ring1][=Branch2]",
"smiles": "C[n+]1ccn2ccccc21"
} | 1-methylimidazo[1,2-a]pyridin-1-ium | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "1-methylimidazo[1,2-a]pyridin-1-ium",
"role": "assistant"
}
] |
1,006 | {
"selfies": "[C][C][=C][C][=C][C][Branch1][C][N][N][Ring1][#Branch1][C][C][C][=Branch1][C][=O][O]",
"smiles": "CC1=CC=CC(N)N1CCC(=O)O"
} | 3-(2-amino-6-methyl-2H-pyridin-1-yl)propanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule represented by the following SMILES representation: <molecule_2d> .",
"role": "user"
},
{
"content": "3-(2-amino-6-methyl-2H-pyridin-1-yl)propanoic acid",
"role": "assistant"
}
] |
1,008 | {
"selfies": "[C][C][O][C][=N][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"smiles": "CCOC1=NC(C)(C)CC(C)O1"
} | 2-ethoxy-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "2-ethoxy-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine",
"role": "assistant"
}
] |
1,010 | {
"selfies": "[C][C][Branch2][Branch2][#C][C][C][C][Branch1][C][O][O][C][C][C][C][C][C][C][C][C][Branch2][Branch1][=N][O][C][O][C][Branch1][Ring1][C][O][C][Branch2][Ring2][Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][O][C][Ring2][Ring1][S][O][C][C][C][Ring2][Ring2][Branch2][Branch1][C][C][C][Ring2][Ring2][=N][C][C][C][Ring2][Ring2][P][Branch1][C][C][C][Ring2][Branch1][Branch1][C][Ring2][Branch1][=Branch2][C][C][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O]",
"smiles": "CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O"
} | 2-[4-[16-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "2-[4-[16-[5-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",
"role": "assistant"
}
] |
1,011 | {
"selfies": "[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][Ring1][C][C][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][Ring2][Ring1][Branch1]",
"smiles": "c1ccc2c(c1)CCN(CCCCN1CCc3ccccc3C1)C2"
} | 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Provide the IUPAC name for the molecule represented as <molecule_2d> .",
"role": "user"
},
{
"content": "2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline",
"role": "assistant"
}
] |
1,012 | {
"selfies": "[C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Ring1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"smiles": "CN1c2ccccc2-c2ccc(N)cc2C1c1ccc(Cl)c(Cl)c1"
} | 6-(3,4-dichlorophenyl)-5-methyl-6H-phenanthridin-8-amine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "6-(3,4-dichlorophenyl)-5-methyl-6H-phenanthridin-8-amine",
"role": "assistant"
}
] |
1,013 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][Branch2][Branch1][N][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][=Branch2][C][Branch1][Ring2][C][Ring1][P][N][Branch1][C][C][C][C][Ring1][Branch2][N][Branch1][C][C][C][C][Ring2][Ring2][=N]",
"smiles": "COc1cc2c(cc1O)C(Cc1cc(OC)c(OC)cc1Oc1cc3c(cc1OC)-c1c(O)c(OC)cc4c1C(C3)N(C)CC4)N(C)CC2"
} | 9-[2-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "9-[2-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-4,5-dimethoxyphenoxy]-2,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol",
"role": "assistant"
}
] |
1,014 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][Ring1][=Branch2][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch1][Ring1][P]",
"smiles": "COC(=O)c1cccc2cn3ccc4c5ccccc5nc-4c3cc12"
} | methyl yohimban-19-carboxylate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "methyl yohimban-19-carboxylate",
"role": "assistant"
}
] |
1,015 | {
"selfies": "[C][C][=C][C][=C][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][N][=C][C][C][C][C][Ring1][Branch1][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][C]",
"smiles": "Cc1ccc(S(=O)(=O)NN=C2C3CCC2CC3)cc1"
} | N-(7-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzenesulfonamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "What is the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "N-(7-bicyclo[2.2.1]heptanylideneamino)-4-methylbenzenesulfonamide",
"role": "assistant"
}
] |
1,016 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][C][C][C][C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][C][C][Ring1][#Branch2][C][C][N][Ring1][=C][C][C][N][Ring2][Ring1][C][C][=C][Ring2][Ring1][#Branch2]",
"smiles": "COc1cc2c(cc1OC)C1C3C4CC(OC)C(OC)CC4CCN3CCN1C=C2"
} | 5,6,19,20-tetramethoxy-11,14-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-3,5,7,9-tetraene | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Can you give the IUPAC name of the molecule <molecule_2d> ?",
"role": "user"
},
{
"content": "5,6,19,20-tetramethoxy-11,14-diazapentacyclo[12.8.0.02,11.03,8.017,22]docosa-3,5,7,9-tetraene",
"role": "assistant"
}
] |
1,017 | {
"selfies": "[C][C][C][C][C][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][N][Branch1][C][C][C][C][C][C][C][C][N][Ring1][=Branch1][C][Ring1][#C]",
"smiles": "CCCCCCC1([N+](=O)[O-])CN(C)CC2CCCCN2C1"
} | 4-hexyl-2-methyl-4-nitro-1,3,5,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "4-hexyl-2-methyl-4-nitro-1,3,5,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepine",
"role": "assistant"
}
] |
1,019 | {
"selfies": "[C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][As][=C][C][=C][C][=C][C][Ring1][=Branch1][=As][Ring1][O]",
"smiles": "c1ccc2c(c1)[As]=c1ccccc1=[As]2"
} | arsanthrene | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "arsanthrene",
"role": "assistant"
}
] |
1,020 | {
"selfies": "[C][N][C][=N][C][=C][Ring1][Branch1][C][C][Branch1][C][Cl][C][=Branch1][C][=O][O]",
"smiles": "Cn1cncc1CC(Cl)C(=O)O"
} | 2-chloro-3-(3-methylimidazol-4-yl)propanoic acid | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Determine the IUPAC name for the molecule denoted by <molecule_2d> .",
"role": "user"
},
{
"content": "2-chloro-3-(3-methylimidazol-4-yl)propanoic acid",
"role": "assistant"
}
] |
1,021 | {
"selfies": "[C][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=Branch1][Branch2][=N][N][=C][Branch1][C][N][N][C][=Branch1][Branch2][=N][N][=C][Branch1][C][N][N][C][Ring2][Ring1][Branch1]",
"smiles": "Cc1cc2c(c3ccccc13)C(=NN=C(N)N)C(=NN=C(N)N)C2"
} | 2-[[1-(diaminomethylidenehydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]guanidine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "2-[[1-(diaminomethylidenehydrazinylidene)-5-methyl-3H-cyclopenta[a]naphthalen-2-ylidene]amino]guanidine",
"role": "assistant"
}
] |
1,022 | {
"selfies": "[C][C][Branch1][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][=N][N][=C][S][Ring1][Branch1]",
"smiles": "CC(C)C(N)C(=O)Nc1nncs1"
} | 2-amino-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "2-amino-3-methyl-N-(1,3,4-thiadiazol-2-yl)butanamide",
"role": "assistant"
}
] |
1,023 | {
"selfies": "[C][N][=C][Branch1][C][N][N][N][=C][Branch1][C][C][C][=C][C][=C][S][C][=C][C][=C][Branch1][=N][C][Branch1][C][C][=N][N][C][Branch1][C][N][=N][C][C][=C][Ring1][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1]",
"smiles": "CN=C(N)NN=C(C)c1ccc2sc3ccc(C(C)=NNC(N)=NC)cc3c2c1"
} | 2-methyl-1-[1-[8-[C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylideneamino]guanidine | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Translate the given SMILES formula of a molecule <molecule_2d> into its IUPAC name.",
"role": "user"
},
{
"content": "2-methyl-1-[1-[8-[C-methyl-N-[(N'-methylcarbamimidoyl)amino]carbonimidoyl]dibenzothiophen-2-yl]ethylideneamino]guanidine",
"role": "assistant"
}
] |
1,024 | {
"selfies": "[C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][Branch1][=N][C][O][C][=Branch1][C][=O][C][C][Ring1][=Branch1][C][O][C][=C][C][=Branch1][C][=O][O][C][C][C][C][Branch1][C][C][Branch1][C][O][C][=C][C][=Branch1][C][=O][C][Ring1][=Branch2][Branch1][C][C][C][Ring2][Ring1][=C][C][Ring2][Ring1][Ring1][Ring1][=C][C]",
"smiles": "CC(=O)OC1CC(C)(C2OC(=O)CC2CO)C2=CC(=O)OC3CC4C(C)(O)C=CC(=O)C4(C)C1C23C"
} | [6-hydroxy-14-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12-dien-16-yl] acetate | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Please write the IUPAC name of the molecule <molecule_2d> .",
"role": "user"
},
{
"content": "[6-hydroxy-14-[3-(hydroxymethyl)-5-oxooxolan-2-yl]-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,12-dien-16-yl] acetate",
"role": "assistant"
}
] |
1,025 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Branch1][N][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O][C][C][Branch1][C][O][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][#C][O][C][C][C][Branch1][=Branch2][N][C][C][S][C][C][Ring1][=Branch1][C][Branch1][C][O][C][Branch1][C][C][O][Ring1][=C]",
"smiles": "COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)CC(O)(C(C)=O)CC3OC1CC(N2CCSCC2)C(O)C(C)O1"
} | 9-acetyl-6,9,11-trihydroxy-7-(5-hydroxy-6-methyl-4-thiomorpholin-4-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "Convert the SMILES representation of a molecule <molecule_2d> into IUPAC name.",
"role": "user"
},
{
"content": "9-acetyl-6,9,11-trihydroxy-7-(5-hydroxy-6-methyl-4-thiomorpholin-4-yloxan-2-yl)oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",
"role": "assistant"
}
] |
1,026 | {
"selfies": "[O][=C][C][=C][C][=Branch1][O][=C][C][C][O][C][Ring1][#Branch1][O][Ring1][Branch1][C][C][C][O][C][Branch1][Ring2][O][Ring1][Branch1][C][=Branch1][C][=O][C][Ring1][=Branch2][C][Ring2][Ring1][Ring1][C][C][O][C][Ring2][Ring1][Branch2][O][Ring1][Branch1]",
"smiles": "O=C1C2=C3C(=CC4COC3O4)C3C4COC(O4)C(=O)C3C2C2COC1O2"
} | 6,13,21,22,23,24-hexaoxaheptacyclo[17.2.1.15,8.112,15.02,17.03,9.010,16]tetracosa-2,17-diene-4,11-dione | [
{
"content": "You are a chemist. Please follow the instructions to convert the structure to the corresponding name.",
"role": "system"
},
{
"content": "<molecule_2d> is the SMILES representation of a molecule. What is its IUPAC name?",
"role": "user"
},
{
"content": "6,13,21,22,23,24-hexaoxaheptacyclo[17.2.1.15,8.112,15.02,17.03,9.010,16]tetracosa-2,17-diene-4,11-dione",
"role": "assistant"
}
] |
Subsets and Splits