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" } ]