id
int64 0
300k
| molecules
dict | ground_truth
stringlengths 7
2.47k
| messages
listlengths 3
3
|
---|---|---|---|
812 | {
"selfies": "[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][C][=C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Ring2]",
"smiles": "CN(C)c1ccc(C=NNC(=O)C(=O)NCc2ccco2)cc1"
} | N'-[[4-(dimethylamino)phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide | [
{
"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-(dimethylamino)phenyl]methylideneamino]-N-(furan-2-ylmethyl)oxamide",
"role": "assistant"
}
] |
813 | {
"selfies": "[C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O]",
"smiles": "CCC(N)C(=O)NCC(=O)NCC(=O)O"
} | 2-[[2-(2-aminobutanoylamino)acetyl]amino]acetic acid | [
{
"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-(2-aminobutanoylamino)acetyl]amino]acetic acid",
"role": "assistant"
}
] |
814 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][P][=Branch1][C][=O][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][N][Ring1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]",
"smiles": "CCN(CC)P1(=O)OC(c2ccccc2)=CCN1c1ccc(OC)cc1"
} | N,N-diethyl-3-(4-methoxyphenyl)-2-oxo-6-phenyl-4H-1,3,2lambda5-oxazaphosphinin-2-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": "N,N-diethyl-3-(4-methoxyphenyl)-2-oxo-6-phenyl-4H-1,3,2lambda5-oxazaphosphinin-2-amine",
"role": "assistant"
}
] |
815 | {
"selfies": "[C][O][C][=C][C][=C][C][Branch2][Ring2][P][C][=N][N][P][=Branch1][C][=S][Branch2][Ring1][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][P][O][C]",
"smiles": "COc1cccc(C=NNP(=S)(Oc2ccc(C(C)(C)C)cc2)Oc2ccc(C(C)(C)C)cc2)c1OC"
} | 1-[[bis(4-tert-butylphenoxy)phosphinothioylhydrazinylidene]methyl]-2,3-dimethoxybenzene | [
{
"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": "1-[[bis(4-tert-butylphenoxy)phosphinothioylhydrazinylidene]methyl]-2,3-dimethoxybenzene",
"role": "assistant"
}
] |
816 | {
"selfies": "[N][C][=C][N][N][=C][N][=C][Ring1][Branch1][C][=Branch1][C][=O][NH1][Ring1][#Branch2]",
"smiles": "Nc1cn2ncnc2c(=O)[nH]1"
} | 6-amino-7H-[1,2,4]triazolo[1,5-a]pyrazin-8-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": "6-amino-7H-[1,2,4]triazolo[1,5-a]pyrazin-8-one",
"role": "assistant"
}
] |
817 | {
"selfies": "[C][C][C][C][C][C][C][O][C][N][Ring1][Branch1][C][Ring1][=Branch2]",
"smiles": "CCC1CCC2COCN2C1"
} | 6-ethyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine | [
{
"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-ethyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine",
"role": "assistant"
}
] |
818 | {
"selfies": "[C][C][=C][C][=Branch2][Ring1][Ring2][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][=C][=Ring1][#Branch2][C][=Branch1][C][=O][N][C][Ring1][P][=O]",
"smiles": "Cc1c2c(cc3c4ccccc4n(C)c13)C(=O)NC2=O"
} | 9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione | [
{
"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": "9,10-dimethylpyrrolo[3,4-b]carbazole-1,3-dione",
"role": "assistant"
}
] |
819 | {
"selfies": "[C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][O][C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][N][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][C][=C][Ring1][=Branch2][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N]",
"smiles": "CN(C)c1ccc(C2(c3ccc(N(C)C)cc3)NNC(=O)c3cc(N(C)C)ccc32)cc1"
} | 7-(dimethylamino)-4,4-bis[4-(dimethylamino)phenyl]-2,3-dihydrophthalazin-1-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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "7-(dimethylamino)-4,4-bis[4-(dimethylamino)phenyl]-2,3-dihydrophthalazin-1-one",
"role": "assistant"
}
] |
820 | {
"selfies": "[C][C][=N][C][S][C][=C][Branch1][=N][C][=Ring1][Branch1][C][=N][N][=C][N][Ring1][N][Ring1][Branch1][C][C][C][C][Ring1][N]",
"smiles": "Cc1nc2sc3c(c2c2nncn12)CCCC3"
} | 7-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene | [
{
"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": "7-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene",
"role": "assistant"
}
] |
821 | {
"selfies": "[C][O][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][C][Branch1][C][C][=C][Branch1][C][C][N][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1][O][C]",
"smiles": "COc1ccc(C(=O)C(C)=C(C)N)c(OCc2ccccc2)c1OC"
} | 3-amino-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)-2-methylbut-2-en-1-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-amino-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)-2-methylbut-2-en-1-one",
"role": "assistant"
}
] |
822 | {
"selfies": "[C][C][Branch1][C][C][S][C][=C][C][Ring1][=Branch1][=C][S][C][Ring1][Branch1][Branch1][C][C][C]",
"smiles": "CC1(C)SC=C2C1=CSC2(C)C"
} | 3,3,6,6-tetramethylthieno[3,4-c]thiophene | [
{
"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": "3,3,6,6-tetramethylthieno[3,4-c]thiophene",
"role": "assistant"
}
] |
823 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][=Branch2][C][=C][Ring1][=Branch1][O][C][C][O][O][C][O][Ring1][O][C][=C][Ring2][Ring1][Ring2]",
"smiles": "COc1ccc(Cc2cc3c(cc2OCCO)OCO3)cc1"
} | 2-[[6-[(4-methoxyphenyl)methyl]-1,3-benzodioxol-5-yl]oxy]ethanol | [
{
"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-[[6-[(4-methoxyphenyl)methyl]-1,3-benzodioxol-5-yl]oxy]ethanol",
"role": "assistant"
}
] |
824 | {
"selfies": "[C][C][=C][N][Branch1][#C][C][C][C][Branch1][C][O][C][Branch1][Ring1][C][O][O][Ring1][Branch2][C][=Branch1][C][=O][N][=C][Ring1][#C][N][C][C][C][C][C][C][C][Ring1][Branch2]",
"smiles": "Cc1cn(C2CC(O)C(CO)O2)c(=O)nc1N1CCCCCCC1"
} | 4-(azocan-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-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": "4-(azocan-1-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one",
"role": "assistant"
}
] |
825 | {
"selfies": "[C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][N][=N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][N][Ring1][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring1]",
"smiles": "c1ccc(-c2cnnc3c4ccccc4nn23)cc1"
} | 4-phenyl-[1,2,4]triazino[4,3-b]indazole | [
{
"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": "4-phenyl-[1,2,4]triazino[4,3-b]indazole",
"role": "assistant"
}
] |
826 | {
"selfies": "[C][C][=C][N][Branch2][Ring1][N][C][C][C][O][P][=Branch1][C][=O][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][#N][O][C][C][Ring1][N][O][Ring1][#C][C][=Branch1][C][=O][NH1][C][Ring2][Ring1][=Branch1][=O]",
"smiles": "Cc1cn(C2CC3OP(=O)(C(C)(C)C#N)OCC3O2)c(=O)[nH]c1=O"
} | 2-methyl-2-[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]propanenitrile | [
{
"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-methyl-2-[6-(5-methyl-2,4-dioxopyrimidin-1-yl)-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-2-yl]propanenitrile",
"role": "assistant"
}
] |
827 | {
"selfies": "[C][O][C][=C][C][Branch1][N][C][=N][C][Branch1][Ring1][S][C][=N][NH1][Ring1][#Branch1][=C][C][Branch1][Ring1][O][C][=C][Ring1][#C][O][C]",
"smiles": "COc1cc(-c2nc(SC)n[nH]2)cc(OC)c1OC"
} | 3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole | [
{
"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": "3-methylsulfanyl-5-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole",
"role": "assistant"
}
] |
828 | {
"selfies": "[O][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][NH1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring2][Ring1][=Branch1][=Ring1][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring2][Ring2][C][NH1][N][Ring2][Ring2][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=c1c2c(-c3cc(-c4ccccc4)nc4[nH]n(-c5ccccc5)c(=O)c34)cc(-c3ccccc3)nc2[nH]n1-c1ccccc1"
} | 4-(3-oxo-2,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-2,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-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": "4-(3-oxo-2,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-2,6-diphenyl-1H-pyrazolo[3,4-b]pyridin-3-one",
"role": "assistant"
}
] |
829 | {
"selfies": "[C][C][Branch1][C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"smiles": "CC(C)CCCCCCc1ccc(O)cc1"
} | 4-(7-methyloctyl)phenol | [
{
"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": "4-(7-methyloctyl)phenol",
"role": "assistant"
}
] |
830 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][C][Ring1][=N]",
"smiles": "CCOC(=O)N1Cc2cc3ncccc3nc2C1"
} | ethyl 6,8-dihydropyrrolo[3,4-b][1,5]naphthyridine-7-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": "ethyl 6,8-dihydropyrrolo[3,4-b][1,5]naphthyridine-7-carboxylate",
"role": "assistant"
}
] |
831 | {
"selfies": "[C][C][Branch1][C][C][Branch1][C][C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"smiles": "CC(C)(C)n1nc(C2CC2)cc1NC(=O)Nc1ccc(Cl)cc1"
} | 1-(2-tert-butyl-5-cyclopropylpyrazol-3-yl)-3-(4-chlorophenyl)urea | [
{
"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": "1-(2-tert-butyl-5-cyclopropylpyrazol-3-yl)-3-(4-chlorophenyl)urea",
"role": "assistant"
}
] |
832 | {
"selfies": "[N][C][=N][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][Branch2][Ring1][N][C][=C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][C][Branch1][C][N][=N][Ring1][P][=N][Ring2][Ring1][P]",
"smiles": "Nc1nc(-c2ccc3ccccc3c2)cc(-c2cc(-c3ccc4ccccc4c3)nc(N)n2)n1"
} | 4-(2-amino-6-naphthalen-2-ylpyrimidin-4-yl)-6-naphthalen-2-ylpyrimidin-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": "4-(2-amino-6-naphthalen-2-ylpyrimidin-4-yl)-6-naphthalen-2-ylpyrimidin-2-amine",
"role": "assistant"
}
] |
833 | {
"selfies": "[C][N][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][N][=N][N][Ring1][Branch2][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]",
"smiles": "CNc1c(C(N)=O)nnn1Cc1ccc(OC)cc1"
} | 1-[(4-methoxyphenyl)methyl]-5-(methylamino)triazole-4-carboxamide | [
{
"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": "1-[(4-methoxyphenyl)methyl]-5-(methylamino)triazole-4-carboxamide",
"role": "assistant"
}
] |
834 | {
"selfies": "[Cl][C][=C][C][=C][C][Branch1][P][N][C][N][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][=C][Ring2][Ring1][C]",
"smiles": "Clc1cccc(NCNC2Nc3ccccc3N2)c1"
} | N'-(3-chlorophenyl)-N-(2,3-dihydro-1H-benzimidazol-2-yl)methanediamine | [
{
"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-chlorophenyl)-N-(2,3-dihydro-1H-benzimidazol-2-yl)methanediamine",
"role": "assistant"
}
] |
835 | {
"selfies": "[C][C][=C][C][=C][Branch2][Ring2][#C][C][=Branch1][C][=O][C][C][=N][C][N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][=C][Ring1][#C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][C]",
"smiles": "Cc1ccc(C(=O)CC2=NC3NN(c4ccccc4)C(=O)C3=C2CC(=O)c2ccc(C)cc2)cc1"
} | 4,5-bis[2-(4-methylphenyl)-2-oxoethyl]-2-phenyl-1,6a-dihydropyrrolo[2,3-c]pyrazol-3-one | [
{
"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": "4,5-bis[2-(4-methylphenyl)-2-oxoethyl]-2-phenyl-1,6a-dihydropyrrolo[2,3-c]pyrazol-3-one",
"role": "assistant"
}
] |
836 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][C][C][=C][O][C][=C][Ring1][Branch1][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][N][Ring1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"smiles": "COC(=O)C1Cc2cocc2CC(C(=O)OC)N1C(=O)OC(C)(C)C"
} | 6-O-tert-butyl 5-O,7-O-dimethyl 4,5,7,8-tetrahydrofuro[3,4-d]azepine-5,6,7-tricarboxylate | [
{
"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-O-tert-butyl 5-O,7-O-dimethyl 4,5,7,8-tetrahydrofuro[3,4-d]azepine-5,6,7-tricarboxylate",
"role": "assistant"
}
] |
837 | {
"selfies": "[O][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][#C][Ring1][=Branch1]",
"smiles": "O=Nc1c(-c2ccccc2)[nH]c2ccccc12"
} | 3-nitroso-2-phenyl-1H-indole | [
{
"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-nitroso-2-phenyl-1H-indole",
"role": "assistant"
}
] |
838 | {
"selfies": "[C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][N][C][=Branch1][C][=O][O][C][C][Cl]",
"smiles": "Cc1cccc2c1Oc1ccccc1C2NC(=O)OCCCl"
} | 2-chloroethyl N-(4-methyl-9H-xanthen-9-yl)carbamate | [
{
"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-chloroethyl N-(4-methyl-9H-xanthen-9-yl)carbamate",
"role": "assistant"
}
] |
839 | {
"selfies": "[C][N][Branch1][C][C][C][C][N][C][C][C][N][Branch1][C][C][C][C][Ring1][Branch2]",
"smiles": "CN(C)CCN1CCCN(C)CC1"
} | N,N-dimethyl-2-(4-methyl-1,4-diazepan-1-yl)ethanamine | [
{
"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,N-dimethyl-2-(4-methyl-1,4-diazepan-1-yl)ethanamine",
"role": "assistant"
}
] |
840 | {
"selfies": "[O][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][N][C][C][C][C][C][C][C][C][C][Ring1][=Branch1]",
"smiles": "O=C1C(=O)c2ccccc2C(O)=C1CCCC1CCCCC1"
} | 3-(3-cyclohexylpropyl)-4-hydroxynaphthalene-1,2-dione | [
{
"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": "3-(3-cyclohexylpropyl)-4-hydroxynaphthalene-1,2-dione",
"role": "assistant"
}
] |
841 | {
"selfies": "[C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]",
"smiles": "CCCNC(=O)c1ccc(OC)cc1"
} | 4-methoxy-N-propylbenzamide | [
{
"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": "4-methoxy-N-propylbenzamide",
"role": "assistant"
}
] |
842 | {
"selfies": "[C][C][Branch1][C][Br][C][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CC(Br)C(=O)OCCCc1ccccc1"
} | 3-phenylpropyl 2-bromopropanoate | [
{
"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": "3-phenylpropyl 2-bromopropanoate",
"role": "assistant"
}
] |
843 | {
"selfies": "[O][=C][Branch1][#Branch2][O][C][C][C][C][C][O][Ring1][Branch1][C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(OCC1CCCO1)C(O)c1ccccc1"
} | oxolan-2-ylmethyl 2-hydroxy-2-phenylacetate | [
{
"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": "oxolan-2-ylmethyl 2-hydroxy-2-phenylacetate",
"role": "assistant"
}
] |
844 | {
"selfies": "[C][C][O][P][=Branch1][C][=O][Branch1][Ring2][O][C][C][C][Branch1][S][N][C][Branch1][C][C][C][C][C][N][Branch1][Ring1][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]",
"smiles": "CCOP(=O)(OCC)C(NC(C)CCCN(CC)CC)c1ccc(OC)cc1"
} | 4-N-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine | [
{
"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": "4-N-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-1-N,1-N-diethylpentane-1,4-diamine",
"role": "assistant"
}
] |
845 | {
"selfies": "[C][=C][C][=C][C][=C][Branch1][Branch2][B][N][C][C][O][Ring1][Branch1][C][=C][Ring1][O]",
"smiles": "C=Cc1ccc(B2NCCO2)cc1"
} | 2-(4-ethenylphenyl)-1,3,2-oxazaborolidine | [
{
"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-(4-ethenylphenyl)-1,3,2-oxazaborolidine",
"role": "assistant"
}
] |
846 | {
"selfies": "[Br][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][Br]",
"smiles": "Brc1ccccc1C#Cc1ccccc1Br"
} | 1-bromo-2-[2-(2-bromophenyl)ethynyl]benzene | [
{
"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-bromo-2-[2-(2-bromophenyl)ethynyl]benzene",
"role": "assistant"
}
] |
847 | {
"selfies": "[N][#C][C][=Branch1][=N][=C][C][=C][C][=Branch1][Ring1][=N][O][C][=C][Ring1][Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"smiles": "N#CC(=C1C=CC(=NO)C=C1)c1ccc(Cl)cc1"
} | 2-(4-chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile | [
{
"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-(4-chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile",
"role": "assistant"
}
] |
848 | {
"selfies": "[C][C][C][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]",
"smiles": "CCCNc1cccc2ccccc12"
} | N-propylnaphthalen-1-amine | [
{
"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-propylnaphthalen-1-amine",
"role": "assistant"
}
] |
849 | {
"selfies": "[C][C][O][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][O][Ring1][Branch1]",
"smiles": "CCOCCOC(=O)C=Cc1ccco1"
} | 2-ethoxyethyl 3-(furan-2-yl)prop-2-enoate | [
{
"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-ethoxyethyl 3-(furan-2-yl)prop-2-enoate",
"role": "assistant"
}
] |
850 | {
"selfies": "[C][C][C][C][C][#C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O]",
"smiles": "CCCCC#CCC(C(=O)O)C(=O)O"
} | 2-hept-2-ynylpropanedioic 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-hept-2-ynylpropanedioic acid",
"role": "assistant"
}
] |
851 | {
"selfies": "[C][C][Branch1][C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CC(C)(C(=O)NN)c1ccccc1"
} | 2-methyl-2-phenylpropanehydrazide | [
{
"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-methyl-2-phenylpropanehydrazide",
"role": "assistant"
}
] |
852 | {
"selfies": "[C][C][C][C][N][C][=C][C][=C][C][Branch1][C][C][=C][C][=Branch1][C][=O][O][C][Ring1][Branch2][=C][Ring1][N]",
"smiles": "CCCCNc1ccc2c(C)cc(=O)oc2c1"
} | 7-(butylamino)-4-methylchromen-2-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": "7-(butylamino)-4-methylchromen-2-one",
"role": "assistant"
}
] |
853 | {
"selfies": "[N][C][=Branch1][C][=O][N][N][=C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2]",
"smiles": "NC(=O)NN=CC1CCc2ccccc2C1"
} | (1,2,3,4-tetrahydronaphthalen-2-ylmethylideneamino)urea | [
{
"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": "(1,2,3,4-tetrahydronaphthalen-2-ylmethylideneamino)urea",
"role": "assistant"
}
] |
854 | {
"selfies": "[O][=C][Branch2][Ring1][#Branch2][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(CC(c1ccccc1)C(C(=O)O)C(=O)O)c1ccccc1"
} | 2-(3-oxo-1,3-diphenylpropyl)propanedioic 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-(3-oxo-1,3-diphenylpropyl)propanedioic acid",
"role": "assistant"
}
] |
855 | {
"selfies": "[O][=C][C][NH1][C][=N][C][=Ring1][Branch1][N][=C][N][Ring1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1]",
"smiles": "O=c1c2[nH]cnc2ncn1C1CCCCC1"
} | 1-cyclohexyl-7H-purin-6-one | [
{
"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": "1-cyclohexyl-7H-purin-6-one",
"role": "assistant"
}
] |
856 | {
"selfies": "[C][C][Si][Branch1][Ring1][C][C][Branch1][=N][O][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][O][C][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1]",
"smiles": "CC[Si](CC)(OCCCc1ccncc1)OCCCc1ccncc1"
} | diethyl-bis(3-pyridin-4-ylpropoxy)silane | [
{
"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": "diethyl-bis(3-pyridin-4-ylpropoxy)silane",
"role": "assistant"
}
] |
857 | {
"selfies": "[C][=C][C][N][Branch1][Ring2][C][C][=C][C][=C][C][=C][Branch1][Branch2][N][Branch1][Ring1][C][C][C][C][C][=C][Ring1][O]",
"smiles": "C=CCN(CC=C)c1ccc(N(CC)CC)cc1"
} | 1-N,1-N-diethyl-4-N,4-N-bis(prop-2-enyl)benzene-1,4-diamine | [
{
"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": "1-N,1-N-diethyl-4-N,4-N-bis(prop-2-enyl)benzene-1,4-diamine",
"role": "assistant"
}
] |
858 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][C][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C]",
"smiles": "COc1ccccc1C=NCCN=Cc1ccccc1OC"
} | 1-(2-methoxyphenyl)-N-[2-[(2-methoxyphenyl)methylideneamino]ethyl]methanimine | [
{
"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": "1-(2-methoxyphenyl)-N-[2-[(2-methoxyphenyl)methylideneamino]ethyl]methanimine",
"role": "assistant"
}
] |
859 | {
"selfies": "[C][C][=Branch1][#Branch1][=N][N][Branch1][C][C][C][C][C][C][C][C][C][C][C][=C][C][=Branch1][#Branch1][=N][N][Branch1][C][C][C][C][C][C][Ring1][#Branch2][Branch1][C][C][C][Ring1][#C][C][C][C][Ring2][Ring1][=Branch1][Ring2][Ring1][Ring1][C]",
"smiles": "CC(=NN(C)C)C1CCC2C3CCC4=CC(=NN(C)C)CCC4(C)C3CCC12C"
} | N-[[17-[N-(dimethylamino)-C-methylcarbonimidoyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]-N-methylmethanamine | [
{
"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-[[17-[N-(dimethylamino)-C-methylcarbonimidoyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]-N-methylmethanamine",
"role": "assistant"
}
] |
860 | {
"selfies": "[C][C][=Branch2][Ring1][#Branch1][=N][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][C][C][C][C][C][C][C][C][=C][C][=Branch2][Ring1][#Branch1][=N][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1][C][C][C][Ring2][Ring1][Ring2][Branch1][C][C][C][Ring2][Ring1][=Branch2][C][C][C][Ring2][Ring1][S][Ring2][Ring1][=N][C]",
"smiles": "CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCC2C3CCC4=CC(=NNc5ccc([N+](=O)[O-])cc5[N+](=O)[O-])CCC4(C)C3CCC12C"
} | N-[[17-[N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]-2,4-dinitroaniline | [
{
"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-[[17-[N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]-2,4-dinitroaniline",
"role": "assistant"
}
] |
861 | {
"selfies": "[C][O][C][C][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][C][Cl][Cl][C][=Branch1][C][=O][O]",
"smiles": "COCC(NC(=O)C(Cl)Cl)C(=O)O"
} | 2-[(2,2-dichloroacetyl)amino]-3-methoxypropanoic 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-dichloroacetyl)amino]-3-methoxypropanoic acid",
"role": "assistant"
}
] |
862 | {
"selfies": "[C][C][C][C][O][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][C][=C][Ring2][Ring1][=Branch1][Ring1][N]",
"smiles": "CCCCOc1nc(N2CCOCC2)nc2nc(N3CCOCC3)ncc12"
} | 4-(4-butoxy-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-7-yl)morpholine | [
{
"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": "4-(4-butoxy-2-morpholin-4-ylpyrimido[4,5-d]pyrimidin-7-yl)morpholine",
"role": "assistant"
}
] |
863 | {
"selfies": "[C][O][C][=C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Br][O][C][O][Ring1][Branch2]",
"smiles": "COC=Cc1cc2c(cc1Br)OCO2"
} | 5-bromo-6-(2-methoxyethenyl)-1,3-benzodioxole | [
{
"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": "5-bromo-6-(2-methoxyethenyl)-1,3-benzodioxole",
"role": "assistant"
}
] |
864 | {
"selfies": "[C][S][C][=N][C][Branch1][P][N][C][O][C][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][Branch2][O][=C][Branch1][C][I][C][=Branch1][C][=O][N][Ring2][Ring1][C][C]",
"smiles": "CSc1nc(NC2OCC(O)C(O)C2O)c(I)c(=O)n1C"
} | 5-iodo-3-methyl-2-methylsulfanyl-6-[(3,4,5-trihydroxyoxan-2-yl)amino]pyrimidin-4-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": "5-iodo-3-methyl-2-methylsulfanyl-6-[(3,4,5-trihydroxyoxan-2-yl)amino]pyrimidin-4-one",
"role": "assistant"
}
] |
865 | {
"selfies": "[C][C][=C][N][Branch1][N][C][C][C][C][Branch1][Ring1][C][O][O][Ring1][#Branch1][C][=Branch1][C][=O][N][=C][Ring1][=C][N]",
"smiles": "Cc1cn(C2CCC(CO)O2)c(=O)nc1N"
} | 4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-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": "4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one",
"role": "assistant"
}
] |
866 | {
"selfies": "[O][=C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][C]",
"smiles": "O=C1CN=C(c2ccccc2)N(c2ccccc2)N1"
} | 2,3-diphenyl-1,5-dihydro-1,2,4-triazin-6-one | [
{
"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": "2,3-diphenyl-1,5-dihydro-1,2,4-triazin-6-one",
"role": "assistant"
}
] |
867 | {
"selfies": "[O][=C][Branch1][C][O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][C]",
"smiles": "O=C(O)C1(Cc2ccccc2)C(=O)C=Cc2ccccc21"
} | 1-benzyl-2-oxonaphthalene-1-carboxylic 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": "1-benzyl-2-oxonaphthalene-1-carboxylic acid",
"role": "assistant"
}
] |
868 | {
"selfies": "[C][C][S][C][=N][C][=C][Branch1][Branch2][C][Branch1][Ring1][C][#N][C][#N][N][=C][N][=C][Ring1][O][S][Ring1][=C]",
"smiles": "CCSc1nc2c(C(C#N)C#N)ncnc2s1"
} | 2-(2-ethylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)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-(2-ethylsulfanyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)propanedinitrile",
"role": "assistant"
}
] |
869 | {
"selfies": "[C][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]",
"smiles": "CCOc1ccncc1[N+](=O)[O-]"
} | 4-ethoxy-3-nitropyridine | [
{
"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": "4-ethoxy-3-nitropyridine",
"role": "assistant"
}
] |
870 | {
"selfies": "[N-1][=N+1][=N][C][C][Branch1][Ring1][C][O][C][C][Branch1][P][N][N][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Ring1][P][O]",
"smiles": "[N-]=[N+]=NC1C(CO)CC(n2nnc3c(N)ncnc32)C1O"
} | 5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-azido-3-(hydroxymethyl)cyclopentan-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": "5-(7-aminotriazolo[4,5-d]pyrimidin-3-yl)-2-azido-3-(hydroxymethyl)cyclopentan-1-ol",
"role": "assistant"
}
] |
871 | {
"selfies": "[N-1][=N+1][=N][C][C][Branch1][Ring1][C][O][C][C][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][C][Ring1][P][O]",
"smiles": "[N-]=[N+]=NC1C(CO)CC(n2cnc3c(N)ncnc32)C1O"
} | 5-(6-aminopurin-9-yl)-2-azido-3-(hydroxymethyl)cyclopentan-1-ol | [
{
"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": "5-(6-aminopurin-9-yl)-2-azido-3-(hydroxymethyl)cyclopentan-1-ol",
"role": "assistant"
}
] |
872 | {
"selfies": "[C][C][=C][C][=C][N+1][Branch1][=N][C][N+1][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring1][=C]",
"smiles": "Cc1ccc[n+](C[n+]2cccc(C)c2)c1"
} | 3-methyl-1-[(3-methylpyridin-1-ium-1-yl)methyl]pyridin-1-ium | [
{
"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-methyl-1-[(3-methylpyridin-1-ium-1-yl)methyl]pyridin-1-ium",
"role": "assistant"
}
] |
873 | {
"selfies": "[C][C][Branch1][Branch1][C][C][C][=O][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CC(CCC=O)CCOCc1ccccc1"
} | 4-methyl-6-phenylmethoxyhexanal | [
{
"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": "4-methyl-6-phenylmethoxyhexanal",
"role": "assistant"
}
] |
874 | {
"selfies": "[N][#C][C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring1][O][C][C][Branch1][C][O][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][Ring1][=N][C][=C][C][=C][O][Ring1][Branch1]",
"smiles": "N#CCC(=O)NN=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccco1"
} | 2-cyano-N-[[2-(4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-(furan-2-yl)ethylidene]amino]acetamide | [
{
"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-cyano-N-[[2-(4,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1-(furan-2-yl)ethylidene]amino]acetamide",
"role": "assistant"
}
] |
875 | {
"selfies": "[C][=Branch1][=Branch2][=C][C][=C][S][N][=N][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"smiles": "C(=Cc1csnn1)c1ccccn1"
} | 4-(2-pyridin-2-ylethenyl)thiadiazole | [
{
"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-(2-pyridin-2-ylethenyl)thiadiazole",
"role": "assistant"
}
] |
876 | {
"selfies": "[O][=C][C][=C][C][C][C][C][Ring1][Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][#C]",
"smiles": "O=C1C=C2CCCC2C(C(=O)O)(C(=O)O)C1"
} | 6-oxo-2,3,3a,5-tetrahydro-1H-indene-4,4-dicarboxylic acid | [
{
"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-oxo-2,3,3a,5-tetrahydro-1H-indene-4,4-dicarboxylic acid",
"role": "assistant"
}
] |
877 | {
"selfies": "[C][C][C][C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C]",
"smiles": "CCCCC(C(=O)C(=O)Nc1ccccc1CC)C(=O)C(C)C"
} | N-(2-ethylphenyl)-3-(2-methylpropanoyl)-2-oxoheptanamide | [
{
"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-(2-ethylphenyl)-3-(2-methylpropanoyl)-2-oxoheptanamide",
"role": "assistant"
}
] |
878 | {
"selfies": "[C][C][Branch2][Ring1][#Branch2][S][C][=C][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][Ring1][=N][=O][C][=Branch1][C][=O][O]",
"smiles": "CC(SC1=CC(=O)c2c(Cl)ccc(O)c2C1=O)C(=O)O"
} | 2-(5-chloro-8-hydroxy-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid | [
{
"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-(5-chloro-8-hydroxy-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid",
"role": "assistant"
}
] |
879 | {
"selfies": "[C][C][=C][C][=Branch2][Ring2][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][=C][Ring1][#Branch2][C][=C][C][Branch1][C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][#C][=O]",
"smiles": "CC1=CC(=C(c2cccc(S(=O)(=O)O)c2)c2cc(C)c(O)c(C(=O)O)c2)C=C(C(=O)O)C1=O"
} | 5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(3-sulfophenyl)methyl]-2-hydroxy-3-methylbenzoic acid | [
{
"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": "5-[(3-carboxy-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)-(3-sulfophenyl)methyl]-2-hydroxy-3-methylbenzoic acid",
"role": "assistant"
}
] |
880 | {
"selfies": "[C][C][O][C][=C][C][=Branch1][C][=O][C][Ring1][#Branch1][O]",
"smiles": "CC1OC=CC(=O)C1O"
} | 3-hydroxy-2-methyl-2,3-dihydropyran-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-hydroxy-2-methyl-2,3-dihydropyran-4-one",
"role": "assistant"
}
] |
881 | {
"selfies": "[C][C][C][C][C][C][=Branch1][C][=O][C][Ring1][#Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=C]",
"smiles": "CC12CCCC(=O)C1CC(C(=O)O)CC2"
} | (2R,4aR)-4a-methyl-8-oxo-1,2,3,4,5,6,7,8a-octahydronaphthalene-2-carboxylic acid | [
{
"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": "(2R,4aR)-4a-methyl-8-oxo-1,2,3,4,5,6,7,8a-octahydronaphthalene-2-carboxylic acid",
"role": "assistant"
}
] |
882 | {
"selfies": "[C][O][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "COC(C(=O)NCCCCNC(=O)C(OC)c1ccccc1)c1ccccc1"
} | 2-methoxy-N-[4-[(2-methoxy-2-phenylacetyl)amino]butyl]-2-phenylacetamide | [
{
"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-methoxy-N-[4-[(2-methoxy-2-phenylacetyl)amino]butyl]-2-phenylacetamide",
"role": "assistant"
}
] |
883 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][Branch1][Ring1][O][C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][Ring2][Ring1][Ring1]",
"smiles": "CCN(CC)CCn1c2ccccc2c(=O)c2c(OC)ccc(OC)c21"
} | 10-[2-(diethylamino)ethyl]-1,4-dimethoxyacridin-9-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": "10-[2-(diethylamino)ethyl]-1,4-dimethoxyacridin-9-one",
"role": "assistant"
}
] |
885 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][S][C][=Branch2][Ring1][=Branch1][=C][Branch1][O][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Branch2]",
"smiles": "COC(=O)C1=C(C(=O)OC)SC(=C(N=Nc2ccccc2)c2ccccc2)S1"
} | dimethyl 2-[phenyl(phenyldiazenyl)methylidene]-1,3-dithiole-4,5-dicarboxylate | [
{
"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": "dimethyl 2-[phenyl(phenyldiazenyl)methylidene]-1,3-dithiole-4,5-dicarboxylate",
"role": "assistant"
}
] |
887 | {
"selfies": "[N][C][=N][C][Branch1][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][=N][Ring2][Ring1][Branch2]",
"smiles": "Nc1nc(N)c(-c2ccccc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)n1"
} | 2,6-diamino-N-(3,4-dichlorophenyl)-5-phenylpyrimidine-4-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": "2,6-diamino-N-(3,4-dichlorophenyl)-5-phenylpyrimidine-4-carboxamide",
"role": "assistant"
}
] |
888 | {
"selfies": "[N][N][C][=Branch1][C][=O][C][=Branch1][S][=C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "NNC(=O)C(=Cc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1"
} | N-[1-(3,4-dichlorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide | [
{
"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": "N-[1-(3,4-dichlorophenyl)-3-hydrazinyl-3-oxoprop-1-en-2-yl]benzamide",
"role": "assistant"
}
] |
889 | {
"selfies": "[O][=S][=Branch1][C][=O][Branch1][#C][C][C][=Branch1][Ring1][=N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=S(=O)(CC(=NO)c1ccccc1)c1ccccc1"
} | N-[2-(benzenesulfonyl)-1-phenylethylidene]hydroxylamine | [
{
"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": "N-[2-(benzenesulfonyl)-1-phenylethylidene]hydroxylamine",
"role": "assistant"
}
] |
890 | {
"selfies": "[C][C][=Branch2][Ring1][C][=N][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N+1][Branch1][C][O-1][=N][Ring1][#Branch1]",
"smiles": "CC(=NNS(=O)(=O)c1ccccc1)c1ccc[n+]([O-])n1"
} | N-[1-(1-oxidopyridazin-1-ium-3-yl)ethylideneamino]benzenesulfonamide | [
{
"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": "N-[1-(1-oxidopyridazin-1-ium-3-yl)ethylideneamino]benzenesulfonamide",
"role": "assistant"
}
] |
891 | {
"selfies": "[C][N][C][=Branch1][C][=O][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][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CNC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1"
} | benzyl 6-(methylcarbamoylamino)-2-(phenylmethoxycarbonylamino)hexanoate | [
{
"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": "benzyl 6-(methylcarbamoylamino)-2-(phenylmethoxycarbonylamino)hexanoate",
"role": "assistant"
}
] |
892 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][Branch1]",
"smiles": "CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1"
} | ethyl 4-[(4-methoxyphenyl)sulfonylmethyl]-3-nitrobenzoate | [
{
"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": "ethyl 4-[(4-methoxyphenyl)sulfonylmethyl]-3-nitrobenzoate",
"role": "assistant"
}
] |
894 | {
"selfies": "[N][C][C][S][C][=C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"smiles": "NCCSC=CC(=O)OCc1ccc(Br)cc1"
} | (4-bromophenyl)methyl 3-(2-aminoethylsulfanyl)prop-2-enoate | [
{
"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": "(4-bromophenyl)methyl 3-(2-aminoethylsulfanyl)prop-2-enoate",
"role": "assistant"
}
] |
895 | {
"selfies": "[C][C][N][Branch1][Ring1][C][C][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][Branch1][C][O][C][Cl][C][=C][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][O][=O]",
"smiles": "CCN(CC)CC(O)CNc1ccc(NCC(O)CCl)c2c1C(=O)c1ccccc1C2=O"
} | 1-[(3-chloro-2-hydroxypropyl)amino]-4-[[3-(diethylamino)-2-hydroxypropyl]amino]anthracene-9,10-dione | [
{
"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": "1-[(3-chloro-2-hydroxypropyl)amino]-4-[[3-(diethylamino)-2-hydroxypropyl]amino]anthracene-9,10-dione",
"role": "assistant"
}
] |
896 | {
"selfies": "[O][=C][C][C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Ring2][Ring1][P]",
"smiles": "O=C1CCC2(c3ccc(F)cc3)Nc3ccc(Cl)cc3N12"
} | 7-chloro-3a-(4-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-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": "7-chloro-3a-(4-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one",
"role": "assistant"
}
] |
897 | {
"selfies": "[C][O][C][=C][C][Branch2][Ring2][P][C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][Ring1][=Branch1][C][Branch1][#C][N][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][C][C][O][C][=Branch1][C][=O][C][Ring2][Ring1][Branch2][Ring1][=Branch1][O][C][O][Ring2][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring1][O]",
"smiles": "COc1cc(C2c3cc4c(cc3C(NCc3cccc(C#N)c3)C3COC(=O)C23)OCO4)cc(OC)c1O"
} | 3-[[[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]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": "3-[[[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]benzonitrile",
"role": "assistant"
}
] |
898 | {
"selfies": "[C][O][C][=C][C][=C][C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][N][C][=Branch2][Ring1][#Branch1][=C][C][=C][C][=C][Branch1][N][N][Branch1][Branch1][C][C][C][#N][C][C][C][#N][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][Cl][=C][Ring2][Ring2][Branch2]",
"smiles": "COc1cccc(NC(=O)NC(=Cc2ccc(N(CCC#N)CCC#N)cc2)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1"
} | N-[2-[4-[bis(2-cyanoethyl)amino]phenyl]-1-[(3-methoxyphenyl)carbamoylamino]ethenyl]-2-chloro-5-nitrobenzamide | [
{
"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-[2-[4-[bis(2-cyanoethyl)amino]phenyl]-1-[(3-methoxyphenyl)carbamoylamino]ethenyl]-2-chloro-5-nitrobenzamide",
"role": "assistant"
}
] |
899 | {
"selfies": "[C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][=C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=C]",
"smiles": "CN1C(=O)C2(C=CCC2)c2ccccc21"
} | 1'-methylspiro[cyclopentene-3,3'-indole]-2'-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": "1'-methylspiro[cyclopentene-3,3'-indole]-2'-one",
"role": "assistant"
}
] |
900 | {
"selfies": "[C][O][C][=C][C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][N][C][=C][C][=C][Branch1][Ring1][S][C][C][=Branch1][C][=O][C][=C][Ring1][#Branch2][Ring2][Ring1][=Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Ring2][O][C]",
"smiles": "COc1cc(C(=O)NC2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc32)cc(OC)c1OC"
} | 3,4,5-trimethoxy-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide | [
{
"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": "3,4,5-trimethoxy-N-(1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide",
"role": "assistant"
}
] |
901 | {
"selfies": "[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][Branch1][C][Cl][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][=Branch1]",
"smiles": "CC(=O)Nc1ccc(C(=O)NN2C(=O)C(Cl)C2c2ccc(O)cc2)cc1"
} | 4-acetamido-N-[3-chloro-2-(4-hydroxyphenyl)-4-oxoazetidin-1-yl]benzamide | [
{
"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": "4-acetamido-N-[3-chloro-2-(4-hydroxyphenyl)-4-oxoazetidin-1-yl]benzamide",
"role": "assistant"
}
] |
902 | {
"selfies": "[C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][N][C][Branch1][C][O][=C][S][C][=Branch1][Branch2][=C][Branch1][Ring1][C][#N][C][#N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][S][=N][C][=C][Ring2][Ring1][N]",
"smiles": "COc1ccc(C=NNC(O)=c2sc(=C(C#N)C#N)n(-c3ccccc3)c2=N)cc1"
} | 2-[5-[hydroxy-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile | [
{
"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-[5-[hydroxy-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]propanedinitrile",
"role": "assistant"
}
] |
903 | {
"selfies": "[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][N][C][=Branch1][C][=O][C][=Branch1][P][=C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][S][C][Ring1][S][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "O=C(Cc1ccccc1)NN1C(=O)C(=Cc2cccc([N+](=O)[O-])c2)SC1=Nc1ccccc1"
} | N-[5-[(3-nitrophenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]-2-phenylacetamide | [
{
"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-[5-[(3-nitrophenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]-2-phenylacetamide",
"role": "assistant"
}
] |
904 | {
"selfies": "[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][C][C][C][O][C][Ring1][=Branch1][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"smiles": "COC(=O)C1=C(C)N2CCCOC2(C)C(C(=O)OC)C1c1cccc(Cl)c1"
} | dimethyl 8-(3-chlorophenyl)-6,9a-dimethyl-3,4,8,9-tetrahydro-2H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate | [
{
"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": "dimethyl 8-(3-chlorophenyl)-6,9a-dimethyl-3,4,8,9-tetrahydro-2H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate",
"role": "assistant"
}
] |
905 | {
"selfies": "[N][N][C][=N][C][=N][C][=C][Ring1][=Branch1][N][=C][N][Ring1][Branch1][C][O][C][Branch1][Ring1][C][O][C][C][Ring1][#Branch1][F]",
"smiles": "NNc1ncnc2c1ncn2C1OC(CO)CC1F"
} | [4-fluoro-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol | [
{
"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-fluoro-5-(6-hydrazinylpurin-9-yl)oxolan-2-yl]methanol",
"role": "assistant"
}
] |
906 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=S][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O]",
"smiles": "CCOC(=O)c1c(N)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O"
} | ethyl 4-amino-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxylate | [
{
"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": "ethyl 4-amino-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxylate",
"role": "assistant"
}
] |
907 | {
"selfies": "[C][C][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][Branch1][C][=Ring1][Branch1][O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=S][N][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"smiles": "CCOC(=O)c1sc2c(c1O)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1"
} | ethyl 5-hydroxy-4-oxo-1,3-diphenyl-2-sulfanylidenethieno[2,3-d]pyrimidine-6-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": "ethyl 5-hydroxy-4-oxo-1,3-diphenyl-2-sulfanylidenethieno[2,3-d]pyrimidine-6-carboxylate",
"role": "assistant"
}
] |
908 | {
"selfies": "[C][C][=N][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][S][C][Branch1][C][N][=N][Ring1][S]",
"smiles": "Cc1nn(C(=O)Cc2ccccc2)c2c1C(c1ccccc1[N+](=O)[O-])SC(N)=N2"
} | 1-[6-amino-3-methyl-4-(2-nitrophenyl)-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenylethanone | [
{
"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-[6-amino-3-methyl-4-(2-nitrophenyl)-4H-pyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenylethanone",
"role": "assistant"
}
] |
909 | {
"selfies": "[N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][C][=C][Ring1][O][=N][NH1][C][Ring1][P][=O]",
"smiles": "NC(=O)c1cc(-c2ccc(-n3ccnc3)cc2)n[nH]c1=O"
} | 3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxamide | [
{
"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": "3-(4-imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxamide",
"role": "assistant"
}
] |
910 | {
"selfies": "[C][C][Branch1][C][C][=N][N][C][=N][C][Branch1][Ring1][C][#N][=C][Branch1][C][N][C][#N]",
"smiles": "CC(C)=NNC=NC(C#N)=C(N)C#N"
} | N'-(2-amino-1,2-dicyanoethenyl)-N-(propan-2-ylideneamino)methanimidamide | [
{
"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": "N'-(2-amino-1,2-dicyanoethenyl)-N-(propan-2-ylideneamino)methanimidamide",
"role": "assistant"
}
] |
912 | {
"selfies": "[C][N][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ga][Branch1][C][Cl][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C]",
"smiles": "CN(C)c1ccccc1C[Ga](Cl)Cc1ccccc1N(C)C"
} | 2-[[chloro-[[2-(dimethylamino)phenyl]methyl]gallanyl]methyl]-N,N-dimethylaniline | [
{
"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-[[chloro-[[2-(dimethylamino)phenyl]methyl]gallanyl]methyl]-N,N-dimethylaniline",
"role": "assistant"
}
] |
914 | {
"selfies": "[O][=N+1][Branch1][C][O-1][C][Branch1][C][Cl][=C][Branch2][Ring1][#Branch2][N][C][C][N][C][Branch1][#Branch2][C][Branch1][C][Cl][=C][Branch1][C][Cl][Cl][=C][Branch1][C][Cl][N+1][=Branch1][C][=O][O-1][C][Branch1][C][Cl][=C][Branch1][C][Cl][Cl]",
"smiles": "O=[N+]([O-])C(Cl)=C(NCCNC(C(Cl)=C(Cl)Cl)=C(Cl)[N+](=O)[O-])C(Cl)=C(Cl)Cl"
} | N,N'-bis(1,3,4,4-tetrachloro-1-nitrobuta-1,3-dien-2-yl)ethane-1,2-diamine | [
{
"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,N'-bis(1,3,4,4-tetrachloro-1-nitrobuta-1,3-dien-2-yl)ethane-1,2-diamine",
"role": "assistant"
}
] |
915 | {
"selfies": "[O][=C][C][C][C][C][C][Branch1][=C][C][C][Ring1][=Branch1][C][C][C][C][Ring1][#Branch2][O][Ring1][=N][O][C][C][O][Ring1][N]",
"smiles": "O=C1CC23CCC4(CC2CCCC3O1)OCCO4"
} | (3'aR,10'aS)-spiro[1,3-dioxolane-2,8'-3a,4,5,6,6a,7,9,10-octahydro-1H-benzo[d][1]benzofuran]-2'-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 for the molecule whose SMILES representation is <molecule_2d> ?",
"role": "user"
},
{
"content": "(3'aR,10'aS)-spiro[1,3-dioxolane-2,8'-3a,4,5,6,6a,7,9,10-octahydro-1H-benzo[d][1]benzofuran]-2'-one",
"role": "assistant"
}
] |
916 | {
"selfies": "[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][NH1][Ring1][N][=C][Ring2][Ring1][C]",
"smiles": "COc1cccc(-c2cc(=O)c3cc(Cl)cnc3[nH]2)c1"
} | 6-chloro-2-(3-methoxyphenyl)-1H-1,8-naphthyridin-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": "6-chloro-2-(3-methoxyphenyl)-1H-1,8-naphthyridin-4-one",
"role": "assistant"
}
] |
Subsets and Splits