id
int64
0
300k
molecules
dict
ground_truth
stringlengths
7
2.47k
messages
listlengths
3
3
298,284
{ "selfies": "[O][=C][Branch2][Ring1][Ring2][C][C][C][C][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][S][Ring1][Branch1]", "smiles": "O=C(CCCc1nc2ccc(Cl)cc2[nH]1)NC(c1ccccc1)c1cccs1" }
4-(6-chloro-1H-benzimidazol-2-yl)-N-[phenyl(thiophen-2-yl)methyl]butanamide
[ { "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-(6-chloro-1H-benzimidazol-2-yl)-N-[phenyl(thiophen-2-yl)methyl]butanamide", "role": "assistant" } ]
298,285
{ "selfies": "[C][C][=C][C][=C][Branch2][Ring1][P][C][N][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][O][Ring1][#Branch1][S][Ring2][Ring1][O]", "smiles": "Cc1ccc(CN(CCCN2CCOCC2)Cc2ccc3c(c2)CCCO3)s1" }
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-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": "N-(3,4-dihydro-2H-chromen-6-ylmethyl)-N-[(5-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine", "role": "assistant" } ]
298,286
{ "selfies": "[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][O][C][C][Ring1][=Branch1]", "smiles": "CN(C)S(=O)(=O)N1CCCC1C(=O)NCc1ccccc1CN1CCOCC1" }
1-(dimethylsulfamoyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-2-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": "1-(dimethylsulfamoyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide", "role": "assistant" } ]
298,287
{ "selfies": "[C][O][C][=C][C][=C][Branch2][Ring2][C][C][N][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][C][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][=Branch2][O][C]", "smiles": "COc1ccc(CN2CCN(C(=O)C(C)Cn3nc(C)cc3C)CC2)cc1OC" }
1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-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": "1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropan-1-one", "role": "assistant" } ]
298,288
{ "selfies": "[C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=Branch1][C][=O][N][NH1][C][Branch1][Ring2][C][O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C][=N][Ring2][Ring1][Ring2]", "smiles": "CCOc1ncccc1-c1cc(=O)n2[nH]c(COC)c(-c3ccc(Cl)cc3)c2n1" }
3-(4-chlorophenyl)-5-(2-ethoxypyridin-3-yl)-2-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-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": "3-(4-chlorophenyl)-5-(2-ethoxypyridin-3-yl)-2-(methoxymethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one", "role": "assistant" } ]
298,289
{ "selfies": "[C][C][N][=C][Branch2][Ring1][=N][S][C][C][=C][C][=Branch1][C][=O][N][NH1][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][C][Ring1][O][=N][Ring1][S][O][C][=Ring2][Ring1][#Branch1][C]", "smiles": "Cc1nc(SCc2cc(=O)n3[nH]c(-c4ccccn4)cc3n2)oc1C" }
5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-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": "5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanylmethyl]-2-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one", "role": "assistant" } ]
298,290
{ "selfies": "[C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][Ring1][O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2]", "smiles": "CCC(NC(=O)c1cc2cc(OC)ccc2o1)c1ccc(OC)cc1" }
5-methoxy-N-[1-(4-methoxyphenyl)propyl]-1-benzofuran-2-carboxamide
[ { "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-methoxy-N-[1-(4-methoxyphenyl)propyl]-1-benzofuran-2-carboxamide", "role": "assistant" } ]
298,291
{ "selfies": "[C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][O][Ring2][Ring1][N]", "smiles": "CN(C)C(=O)C1(Cc2ccccc2-c2cccnc2)CN(C(=O)Cc2ccccn2)CCO1" }
N,N-dimethyl-4-(2-pyridin-2-ylacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide
[ { "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,N-dimethyl-4-(2-pyridin-2-ylacetyl)-2-[(2-pyridin-3-ylphenyl)methyl]morpholine-2-carboxamide", "role": "assistant" } ]
298,292
{ "selfies": "[C][C][=N][N][Branch2][Ring2][=Branch2][C][C][C][=Branch1][C][=O][N][C][C][O][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][O][Ring1][#Branch1][C][Ring2][Ring1][Ring2][C][Branch1][C][C][=C][Ring2][Ring1][=C][Cl]", "smiles": "Cc1nn(CCC(=O)N2CCOC(C(=O)NCc3ccc4c(c3)CCCO4)C2)c(C)c1Cl" }
4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoyl]-N-(3,4-dihydro-2H-chromen-6-ylmethyl)morpholine-2-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 of the molecule <molecule_2d> ?", "role": "user" }, { "content": "4-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propanoyl]-N-(3,4-dihydro-2H-chromen-6-ylmethyl)morpholine-2-carboxamide", "role": "assistant" } ]
298,293
{ "selfies": "[C][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][N][=Ring1][Branch2][C][Ring1][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][O][Ring1][#Branch1]", "smiles": "CC(NC(=O)C1CN(C(=O)c2ccc(=O)n(C)n2)C1)c1ccc2c(c1)CCCO2" }
N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidine-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": "N-[1-(3,4-dihydro-2H-chromen-6-yl)ethyl]-1-(1-methyl-6-oxopyridazine-3-carbonyl)azetidine-3-carboxamide", "role": "assistant" } ]
298,294
{ "selfies": "[C][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][O]", "smiles": "CNC(=O)C1CN(C)CCN1C(=O)c1cccc(N2CCCC2)c1" }
N,4-dimethyl-1-(3-pyrrolidin-1-ylbenzoyl)piperazine-2-carboxamide
[ { "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,4-dimethyl-1-(3-pyrrolidin-1-ylbenzoyl)piperazine-2-carboxamide", "role": "assistant" } ]
298,295
{ "selfies": "[C][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][N][=C][Ring1][#Branch1]", "smiles": "CNC(=O)C1CN(C)CCN1C(=O)c1cnc(C)nc1" }
N,4-dimethyl-1-(2-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide
[ { "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,4-dimethyl-1-(2-methylpyrimidine-5-carbonyl)piperazine-2-carboxamide", "role": "assistant" } ]
298,296
{ "selfies": "[C][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]", "smiles": "CNC(=O)C1CN(C)CCN1C(=O)CCc1nc2ccccc2[nH]1" }
1-[3-(1H-benzimidazol-2-yl)propanoyl]-N,4-dimethylpiperazine-2-carboxamide
[ { "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-(1H-benzimidazol-2-yl)propanoyl]-N,4-dimethylpiperazine-2-carboxamide", "role": "assistant" } ]
298,297
{ "selfies": "[C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][=Branch1][N][Branch1][C][C][C][=C][Ring1][=Branch2][C][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring2][Ring1][=Branch1]", "smiles": "CC(=O)N1CCN(C(=O)COc2cccc(N(C)C)c2)C(C(N)=O)C1" }
4-acetyl-1-[2-[3-(dimethylamino)phenoxy]acetyl]piperazine-2-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": "4-acetyl-1-[2-[3-(dimethylamino)phenoxy]acetyl]piperazine-2-carboxamide", "role": "assistant" } ]
298,298
{ "selfies": "[C][O][C][=C][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][C][C][C][=Branch1][C][=O][N][C][C][O][C][Branch1][Branch2][C][=C][C][=N][NH1][Ring1][Branch1][C][Ring1][O][=C][Branch1][C][C][C][=Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][Cl]", "smiles": "COc1cc2oc(=O)c(CCC(=O)N3CCOC(c4ccn[nH]4)C3)c(C)c2cc1Cl" }
6-chloro-7-methoxy-4-methyl-3-[3-oxo-3-[2-(1H-pyrazol-5-yl)morpholin-4-yl]propyl]chromen-2-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-chloro-7-methoxy-4-methyl-3-[3-oxo-3-[2-(1H-pyrazol-5-yl)morpholin-4-yl]propyl]chromen-2-one", "role": "assistant" } ]
298,299
{ "selfies": "[C][C][Branch1][C][C][N][C][C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][O][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][S][C][C][Ring2][Ring1][Branch2]", "smiles": "CC(C)N1CCC(C(=O)N2CCCC(O)(COc3cccc(Cl)c3)C2)CC1" }
[3-[(3-chlorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone
[ { "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-[(3-chlorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-(1-propan-2-ylpiperidin-4-yl)methanone", "role": "assistant" } ]
298,300
{ "selfies": "[O][=C][Branch2][Ring1][N][C][N][C][C][C][C][Branch1][C][O][Branch1][=C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring1][S][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1]", "smiles": "O=C(CN1CCCC(O)(COc2cccc(Cl)c2)C1)NCc1ccccn1" }
2-[3-[(3-chlorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
[ { "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-[3-[(3-chlorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide", "role": "assistant" } ]
298,301
{ "selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][#C][C][N][C][C][C][Branch1][C][O][Branch1][P][C][O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][Ring1][P][C][=C][Ring2][Ring1][Branch2][C][N][C][C][C][C][C][Ring1][=Branch1]", "smiles": "COc1ccc(CN2CCC(O)(COc3ccc(C)c(C)c3)CC2)cc1CN1CCCCC1" }
4-[(3,4-dimethylphenoxy)methyl]-1-[[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-ol
[ { "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-[(3,4-dimethylphenoxy)methyl]-1-[[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]methyl]piperidin-4-ol", "role": "assistant" } ]
298,302
{ "selfies": "[C][C][=C][C][=C][Branch2][Ring1][N][O][C][C][Branch1][C][O][C][C][C][N][Branch1][N][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch1][C]", "smiles": "Cc1ccc(OCC2(O)CCCN(Cc3cnn(C)c3)CC2)cc1C" }
4-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]azepan-4-ol
[ { "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-[(3,4-dimethylphenoxy)methyl]-1-[(1-methylpyrazol-4-yl)methyl]azepan-4-ol", "role": "assistant" } ]
298,303
{ "selfies": "[C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=C][N][C][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][N]", "smiles": "CN(C)CC(=O)N1CCC(N2CCCCCCOc3ccccc3Oc3ncccc3C2)CC1" }
2-(dimethylamino)-1-[4-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)piperidin-1-yl]ethanone
[ { "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-(dimethylamino)-1-[4-(2,17-dioxa-4,10-diazatricyclo[16.4.0.03,8]docosa-1(22),3(8),4,6,18,20-hexaen-10-yl)piperidin-1-yl]ethanone", "role": "assistant" } ]
298,304
{ "selfies": "[O][=C][Branch2][Ring1][P][C][N][C][C][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]", "smiles": "O=C(CN1CCCCCOc2ccccc2Nc2cccc(n2)C1=O)NCCc1ccc(Cl)cc1" }
N-[2-(4-chlorophenyl)ethyl]-2-(16-oxo-9-oxa-2,15,21-triazatricyclo[15.3.1.03,8]henicosa-1(20),3,5,7,17(21),18-hexaen-15-yl)acetamide
[ { "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-(4-chlorophenyl)ethyl]-2-(16-oxo-9-oxa-2,15,21-triazatricyclo[15.3.1.03,8]henicosa-1(20),3,5,7,17(21),18-hexaen-15-yl)acetamide", "role": "assistant" } ]
298,305
{ "selfies": "[C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][N][Ring1][Branch2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]", "smiles": "Cc1nn(C)cc1CN1CCC2C(C1)CC(C)(C)N2c1cccc(F)c1" }
(3aR,7aS)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)-2,2-dimethyl-3,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridine
[ { "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": "(3aR,7aS)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)-2,2-dimethyl-3,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridine", "role": "assistant" } ]
298,306
{ "selfies": "[C][C][Branch1][C][C][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][S][N][Ring2][Ring1][Ring2][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1]", "smiles": "CC1(C)CC2CN(C(=O)CCc3ccccc3)CCC2N1c1cccc(F)c1" }
1-[(3aR,7aS)-1-(3-fluorophenyl)-2,2-dimethyl-3,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-3-phenylpropan-1-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": "1-[(3aR,7aS)-1-(3-fluorophenyl)-2,2-dimethyl-3,3a,4,6,7,7a-hexahydropyrrolo[3,2-c]pyridin-5-yl]-3-phenylpropan-1-one", "role": "assistant" } ]
298,307
{ "selfies": "[N][#C][C][=C][Branch2][Ring1][Branch2][N][C][C][C][N][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][N][=C][N][=C][Ring2][Ring1][#Branch1][N][C][C][C][C][Ring1][Branch1]", "smiles": "N#Cc1c(NCCCN2CCC(Cc3ccccc3)CC2)ncnc1N1CCCC1" }
4-[3-(4-benzylpiperidin-1-yl)propylamino]-6-pyrrolidin-1-ylpyrimidine-5-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": "4-[3-(4-benzylpiperidin-1-yl)propylamino]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile", "role": "assistant" } ]
298,308
{ "selfies": "[C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch2][Ring1][=Branch2][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=N][C][C][=Branch1][C][=O][N][Ring2][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring1][O][C]", "smiles": "CCOc1cc2c3c(c1)C(c1c(-c4ccccc4)n(C)c(=O)n1C)C(=O)N3C(C)(C)C=C2C" }
3-(1,3-dimethyl-2-oxo-5-phenylimidazol-4-yl)-6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-2-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-(1,3-dimethyl-2-oxo-5-phenylimidazol-4-yl)-6-ethoxy-9,11,11-trimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-2-one", "role": "assistant" } ]
298,309
{ "selfies": "[C][C][=C][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][O][C][C][N][Branch1][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring2][C]", "smiles": "Cc1ccc(C(=O)C=CC(=O)OCCN(C)C(C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1" }
2-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-methylamino]ethyl (E)-4-(4-methylphenyl)-4-oxobut-2-enoate
[ { "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-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-methylamino]ethyl (E)-4-(4-methylphenyl)-4-oxobut-2-enoate", "role": "assistant" } ]
298,310
{ "selfies": "[C][C][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][O][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=C][N][=C][Ring2][Ring1][Ring2]", "smiles": "CCc1cnc(N2CCC(COc3ccncc3)CC2)nc1" }
5-ethyl-2-[4-(pyridin-4-yloxymethyl)piperidin-1-yl]pyrimidine
[ { "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-ethyl-2-[4-(pyridin-4-yloxymethyl)piperidin-1-yl]pyrimidine", "role": "assistant" } ]
298,311
{ "selfies": "[N][#C][C][C][C][N][Branch1][=N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Br][C][C][Ring1][=C]", "smiles": "N#CC1CCN(c2ncc(Cl)cc2Br)CC1" }
1-(3-bromo-5-chloropyridin-2-yl)piperidine-4-carbonitrile
[ { "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-(3-bromo-5-chloropyridin-2-yl)piperidine-4-carbonitrile", "role": "assistant" } ]
298,312
{ "selfies": "[O][=C][C][N][Branch1][P][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][C][N][Ring1][S][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]", "smiles": "O=C1CN(c2ncccc2C(F)(F)F)CCN1Cc1ccc(F)cc1F" }
1-[(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-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": "1-[(2,4-difluorophenyl)methyl]-4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-2-one", "role": "assistant" } ]
298,313
{ "selfies": "[C][S][C][=N][C][=C][Branch1][C][Br][C][Branch2][Ring1][Ring2][N][C][C][O][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][O][=N][Ring2][Ring1][C]", "smiles": "CSc1ncc(Br)c(N2CCOC(C(=O)N(C)C)C2)n1" }
4-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmorpholine-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": "4-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide", "role": "assistant" } ]
298,314
{ "selfies": "[O][=C][Branch2][Ring1][C][C][C][N][Branch1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl][C][Ring1][O][N][C][C][S][C][C][Ring1][=Branch1]", "smiles": "O=C(C1CN(c2ccncc2Cl)C1)N1CCSCC1" }
[1-(3-chloropyridin-4-yl)azetidin-3-yl]-thiomorpholin-4-ylmethanone
[ { "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-(3-chloropyridin-4-yl)azetidin-3-yl]-thiomorpholin-4-ylmethanone", "role": "assistant" } ]
298,315
{ "selfies": "[C][C][C][=C][Branch2][Ring1][Ring2][N][C][C][C][Branch1][O][C][O][C][=C][N][=C][C][=N][Ring1][=Branch1][C][Ring1][=N][N][N][=C][N][=C][Ring1][Branch1][N][=Ring2][Ring1][=Branch1]", "smiles": "Cc1cc(N2CCC(COc3cnccn3)C2)n2ncnc2n1" }
5-methyl-7-[3-(pyrazin-2-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
[ { "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-methyl-7-[3-(pyrazin-2-yloxymethyl)pyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine", "role": "assistant" } ]
298,316
{ "selfies": "[O][=C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=C][C][C][=C][C][=N][C][=C][N][Ring1][Branch1][N][=Ring1][=Branch2][C][Ring1][=N][N][C][C][S][C][C][Ring1][=Branch1]", "smiles": "O=C(C1CN(c2ccc3nccn3n2)C1)N1CCSCC1" }
(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-thiomorpholin-4-ylmethanone
[ { "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-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)-thiomorpholin-4-ylmethanone", "role": "assistant" } ]
298,317
{ "selfies": "[C][C][=C][C][=C][C][Branch2][Ring1][P][C][N][C][C][N][Branch2][Ring1][Ring2][C][=C][Branch1][C][C][C][Branch1][C][C][=N][C][=N][C][=N][N][Ring1][O][Ring1][Branch1][C][C][Ring1][P][=O][=C][Ring2][Ring1][=Branch2]", "smiles": "Cc1cccc(CN2CCN(c3c(C)c(C)nc4ncnn34)CC2=O)c1" }
4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-[(3-methylphenyl)methyl]piperazin-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": "4-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-[(3-methylphenyl)methyl]piperazin-2-one", "role": "assistant" } ]
298,318
{ "selfies": "[O][=C][Branch2][Ring1][O][C][C][C][N][Branch1][P][C][=N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][C][Ring1][S][N][C][C][S][C][C][Ring1][=Branch1]", "smiles": "O=C(C1CCN(c2nc3ccc(F)cc3o2)CC1)N1CCSCC1" }
[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
[ { "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-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone", "role": "assistant" } ]
298,319
{ "selfies": "[C][=C][N][=C][Branch2][Ring1][Branch1][N][C][C][N][Branch1][O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring1][=C][N][=C][Ring2][Ring1][Ring2]", "smiles": "c1cnc(N2CCN(CCc3cccnc3)CC2)nc1" }
2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidine
[ { "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-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidine", "role": "assistant" } ]
298,320
{ "selfies": "[C][C][C][=N][N][=C][C][Branch2][Ring1][P][N][C][C][C][N][Branch2][Ring1][Ring2][C][=C][Branch1][C][C][C][Branch1][C][C][=N][C][=N][C][=N][N][Ring1][O][Ring1][Branch1][C][C][Ring2][Ring1][C][=N][C][=C][N][Ring2][Ring1][O][Ring2][Ring1][Branch2]", "smiles": "CCc1nnc2c(N3CCCN(c4c(C)c(C)nc5ncnn45)CC3)nccn12" }
7-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
[ { "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": "7-[4-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-1,4-diazepan-1-yl]-5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine", "role": "assistant" } ]
298,321
{ "selfies": "[O][=C][Branch2][Ring2][=Branch2][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]", "smiles": "O=C(CC1CN(Cc2ccccc2)c2ccccc2N(Cc2ccccc2)C1=O)Nc1ccc(F)cc1" }
2-(1,5-dibenzyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-N-(4-fluorophenyl)acetamide
[ { "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-(1,5-dibenzyl-4-oxo-2,3-dihydro-1,5-benzodiazepin-3-yl)-N-(4-fluorophenyl)acetamide", "role": "assistant" } ]
298,322
{ "selfies": "[C][O][C][=C][C][=C][Branch2][Branch1][#Branch1][C][=N][C][=C][Branch2][Ring1][O][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][=C][C][#N][C][=C][Ring2][Ring2][=Branch1]", "smiles": "COc1ccc(-c2nc3c(c(-c4ccc(Cl)cc4)nn3-c3ccccc3)c(-c3ccc(OC)cc3)c2C#N)cc1" }
3-(4-chlorophenyl)-4,6-bis(4-methoxyphenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile
[ { "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-(4-chlorophenyl)-4,6-bis(4-methoxyphenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carbonitrile", "role": "assistant" } ]
298,323
{ "selfies": "[C][C][=C][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][Ring1][N][C][Branch1][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][C][N][N][C][Ring1][Branch1][C][=C][Ring1][O][C][=C][Ring2][Ring1][#Branch1][C][Branch1][C][C][=C][Ring2][Ring1][P]", "smiles": "Cc1ccc(C(=O)Oc2ccc(C(CN)C(=O)Nc3ccc(C4CNNC4)cc3)cc2)c(C)c1" }
[4-[3-amino-1-oxo-1-(4-pyrazolidin-4-ylanilino)propan-2-yl]phenyl] 2,4-dimethylbenzoate
[ { "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-[3-amino-1-oxo-1-(4-pyrazolidin-4-ylanilino)propan-2-yl]phenyl] 2,4-dimethylbenzoate", "role": "assistant" } ]
298,324
{ "selfies": "[C][S][C][=C][N][=C][Branch2][Ring1][P][N][C][C][C][C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][N][N][=C][C][=C][C][Ring1][=Branch1][=O][C][=NH1+1][Ring1][=N][C][Ring2][Ring1][Ring1][N][=C][Ring2][Ring1][#Branch2]", "smiles": "CSc1cnc(NC2CCC(Nc3ccc(-n4ncccc4=O)c[nH+]3)C2)nc1" }
2-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]pyridin-1-ium-3-yl]pyridazin-3-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": "2-[6-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]pyridin-1-ium-3-yl]pyridazin-3-one", "role": "assistant" } ]
298,325
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][C][Branch2][Branch1][O][N][Branch2][Ring2][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][C][N][=N][C][=N][N][Ring1][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring2][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Ring2][Ring2][Ring1]", "smiles": "CC(C)(C)CC(=O)N1CC(F)C(N(C(=O)c2cccc(-c3cc(C(F)(F)F)c4c(N)ncnn34)c2)C(=O)C(F)(F)F)C1" }
3-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-1-(3,3-dimethylbutanoyl)-4-fluoropyrrolidin-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide
[ { "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-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-1-(3,3-dimethylbutanoyl)-4-fluoropyrrolidin-3-yl]-N-(2,2,2-trifluoroacetyl)benzamide", "role": "assistant" } ]
298,326
{ "selfies": "[C][C][C][=N][C][Branch2][Ring1][=N][C][N][C][C][C][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][Ring1][S][=C][Branch1][C][C][NH1][Ring2][Ring1][#Branch1]", "smiles": "CCc1nc(CN2CCC(Cc3ccc(OC)c(OC)c3)C2)c(C)[nH]1" }
4-[[3-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-2-ethyl-5-methyl-1H-imidazole
[ { "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-[[3-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-2-ethyl-5-methyl-1H-imidazole", "role": "assistant" } ]
298,327
{ "selfies": "[C][N][C][=C][Branch2][Ring2][#Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][C][Ring1][=N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=N][Ring2][Ring1][O]", "smiles": "Cn1cc(C2N(C(=O)CNS(C)(=O)=O)CCC23C(=O)Nc2ccccc23)cn1" }
N-[2-[(2'S,3R)-2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]methanesulfonamide
[ { "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-[2-[(2'S,3R)-2'-(1-methylpyrazol-4-yl)-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-yl]-2-oxoethyl]methanesulfonamide", "role": "assistant" } ]
298,328
{ "selfies": "[C][C][C][C][=C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring1][=N][NH1][Ring2][Ring1][#Branch2]", "smiles": "CCCc1cc(C(=O)N2CCC(O)(c3ccccc3)C(N3CCOCC3)C2)n[nH]1" }
[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
[ { "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": "[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone", "role": "assistant" } ]
298,329
{ "selfies": "[O][=C][Branch1][#Branch2][C][C][N][C][=N][C][=N][Ring1][Branch1][N][C][C][C][C][N][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][C][C][C][N][Ring1][=Branch1][Ring1][=N]", "smiles": "O=C(CCn1cncn1)NCC1C2CNCC(C2)C2CCCCN21" }
N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
[ { "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": "N-[[(1R,2S,8R,9S)-7,11-diazatricyclo[7.3.1.02,7]tridecan-8-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide", "role": "assistant" } ]
298,330
{ "selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Ring1][Ring2][C][C][Ring1][O][C][N][Ring1][=C][C][C][=C][Ring2][Ring1][Branch1]", "smiles": "COc1ccc(C2C3CN(C(=O)C4(C)CC4)CC3CN2C)cc1" }
[(3R,3aS,6aS)-3-(4-methoxyphenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylcyclopropyl)methanone
[ { "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": "[(3R,3aS,6aS)-3-(4-methoxyphenyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(1-methylcyclopropyl)methanone", "role": "assistant" } ]
298,331
{ "selfies": "[O][=C][Branch2][Ring2][#Branch1][N][C][C][C][C][C][C][Branch2][Ring1][=Branch2][C][N][Branch1][=C][C][=N][C][=N][C][C][=C][S][C][Ring1][=Branch2][=Ring1][Branch1][C][C][Ring2][Ring1][C][Ring1][=C][O][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1]", "smiles": "O=C(NCC1C2CCC3(CN(c4ncnc5ccsc45)CC13)O2)c1ccccc1" }
N-[[(1S,5S,6R,7R)-3-thieno[3,2-d]pyrimidin-4-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide
[ { "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-[[(1S,5S,6R,7R)-3-thieno[3,2-d]pyrimidin-4-yl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]benzamide", "role": "assistant" } ]
298,332
{ "selfies": "[C][C][N][N][=C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][N][C][C][Ring1][Branch1][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C]", "smiles": "CCn1nc(CC(C)C)cc1C(=O)N1CC2CNCC2C1c1ccccc1C" }
[(3aR,4S,6aS)-4-(2-methylphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-ethyl-5-(2-methylpropyl)pyrazol-3-yl]methanone
[ { "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": "[(3aR,4S,6aS)-4-(2-methylphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-ethyl-5-(2-methylpropyl)pyrazol-3-yl]methanone", "role": "assistant" } ]
298,333
{ "selfies": "[C][C][C][C][=N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][C][Ring2][Ring1][C][=C][S][Ring2][Ring1][=Branch2]", "smiles": "CCCc1nc(C(=O)N2CC3CN(C(C)=O)C(c4ccccc4C)C3C2)cs1" }
1-[(3aS,4R,6aR)-4-(2-methylphenyl)-2-(2-propyl-1,3-thiazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
[ { "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-[(3aS,4R,6aR)-4-(2-methylphenyl)-2-(2-propyl-1,3-thiazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone", "role": "assistant" } ]
298,334
{ "selfies": "[O][=C][Branch1][S][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][Ring1][#Branch2][=O][N][C][C][C][N][C][C][Ring1][Branch1][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]", "smiles": "O=C(c1cnc2ccccn2c1=O)N1CC2CNCC2C1c1ccccc1" }
3-[(3aR,4S,6aS)-4-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]pyrido[1,2-a]pyrimidin-4-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": "3-[(3aR,4S,6aS)-4-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one", "role": "assistant" } ]
298,335
{ "selfies": "[C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][=C][C][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C]", "smiles": "CC(=O)N1CC2CN(Cc3cc(C)ccc3C)CC2C1c1ccccc1C" }
1-[(3aS,4S,6aR)-2-[(2,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
[ { "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-[(3aS,4S,6aR)-2-[(2,5-dimethylphenyl)methyl]-4-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone", "role": "assistant" } ]
298,336
{ "selfies": "[O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][N][C][Ring1][Branch1][C][=C][Ring1][N]", "smiles": "O=C(Nc1nccs1)c1ccc(CC2CCNC2)cc1" }
4-(pyrrolidin-3-ylmethyl)-N-(1,3-thiazol-2-yl)benzamide
[ { "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-(pyrrolidin-3-ylmethyl)-N-(1,3-thiazol-2-yl)benzamide", "role": "assistant" } ]
298,337
{ "selfies": "[C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][N][=O][C][Ring2][Ring1][C]", "smiles": "Cc1cnccc1CNC(=O)C1(Cc2ccccc2)CN(C(=O)CNC(N)=O)C1" }
3-benzyl-1-[2-(carbamoylamino)acetyl]-N-[(3-methylpyridin-4-yl)methyl]azetidine-3-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": "3-benzyl-1-[2-(carbamoylamino)acetyl]-N-[(3-methylpyridin-4-yl)methyl]azetidine-3-carboxamide", "role": "assistant" } ]
298,338
{ "selfies": "[C][C][Branch2][Ring2][#Branch2][C][=Branch1][C][=O][N][C][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][C][O][C][Ring2][Ring1][N]", "smiles": "CC1(C(=O)N2CC(Cc3ccc(Cl)cc3)(C(=O)NCc3ccncc3)C2)COC1" }
3-[(4-chlorophenyl)methyl]-1-(3-methyloxetane-3-carbonyl)-N-(pyridin-4-ylmethyl)azetidine-3-carboxamide
[ { "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-[(4-chlorophenyl)methyl]-1-(3-methyloxetane-3-carbonyl)-N-(pyridin-4-ylmethyl)azetidine-3-carboxamide", "role": "assistant" } ]
298,339
{ "selfies": "[C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][C][N][Branch1][=C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][Ring1][=C][C][=C][Ring2][Ring1][Branch1][O][C]", "smiles": "COc1ccc(CC2CCN(Cc3cccc(F)c3F)C2)cc1OC" }
1-[(2,3-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]pyrrolidine
[ { "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-[(2,3-difluorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methyl]pyrrolidine", "role": "assistant" } ]
298,340
{ "selfies": "[O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][=C][C][=N][NH1][Ring1][Branch1][C][=C][Ring1][O][N][C][C][C][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][Ring1][=C]", "smiles": "O=C(c1ccc(-c2ccn[nH]2)cc1)N1CCC(Cc2cc(F)cc(F)c2)C1" }
[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
[ { "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-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone", "role": "assistant" } ]
298,341
{ "selfies": "[O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][C][C][C][N][C][Ring1][Branch1][C][=C][Ring1][N][N][C][C][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][C][Ring1][N]", "smiles": "O=C(c1ccc(CC2CCNC2)cc1)N1CCC(Cn2ccnc2)CC1" }
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-(pyrrolidin-3-ylmethyl)phenyl]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-(imidazol-1-ylmethyl)piperidin-1-yl]-[4-(pyrrolidin-3-ylmethyl)phenyl]methanone", "role": "assistant" } ]
298,342
{ "selfies": "[C][C][S][C][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][C][Branch1][C][C][Branch1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=N][O][Ring1][=Branch1][C][Ring2][Ring1][C][O]", "smiles": "CCSCCN1CCC2(CC1)OCCC(C)(NC(=O)c1cc(C)no1)C2O" }
N-[(4S,5R)-9-(2-ethylsulfanylethyl)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-methyl-1,2-oxazole-5-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": "N-[(4S,5R)-9-(2-ethylsulfanylethyl)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-methyl-1,2-oxazole-5-carboxamide", "role": "assistant" } ]
298,343
{ "selfies": "[C][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=C][C][=N][NH1][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][C][C][Ring1][S][C][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C]", "smiles": "CC(=O)N1CC2CN(C(=O)c3ccc4n[nH]nc4c3)CC2C1c1ccccc1C" }
1-[(3aS,4S,6aR)-2-(2H-benzotriazole-5-carbonyl)-4-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone
[ { "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-[(3aS,4S,6aR)-2-(2H-benzotriazole-5-carbonyl)-4-(2-methylphenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]ethanone", "role": "assistant" } ]
298,344
{ "selfies": "[O][=C][Branch1][Branch2][C][=C][C][=N][NH1][Ring1][Branch1][N][C][C][C][N][C][C][Ring1][Branch1][C][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]", "smiles": "O=C(c1ccn[nH]1)N1CC2CNCC2C1c1ccccc1" }
[(3aR,4S,6aS)-4-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1H-pyrazol-5-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": "[(3aR,4S,6aS)-4-phenyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(1H-pyrazol-5-yl)methanone", "role": "assistant" } ]
298,345
{ "selfies": "[C][C][C][C][C][C][C][C][C][C][C][Branch1][=Branch2][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][S][C][=C][C][=Ring1][Branch1][C][C][=C][S][C][=Ring1][Branch1][C][Ring1][=C][=O]", "smiles": "CCCCCCCCCCC(CCCCCCCC)Cn1c(=O)c2sccc2c2ccsc2c1=O" }
8-(2-octyldodecyl)-5,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene-7,9-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": "8-(2-octyldodecyl)-5,11-dithia-8-azatricyclo[8.3.0.02,6]trideca-1(10),2(6),3,12-tetraene-7,9-dione", "role": "assistant" } ]
298,346
{ "selfies": "[C][N][Branch2][Ring2][C][C][C][O][C][C][C][=C][N][Branch2][Ring1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][N][=Ring1][S][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]", "smiles": "CN(CCOCc1ccn(-c2ccc3c(c2)CC(=O)N3C)n1)C(=O)OC(C)(C)C" }
tert-butyl N-methyl-N-[2-[[1-(1-methyl-2-oxo-3H-indol-5-yl)pyrazol-3-yl]methoxy]ethyl]carbamate
[ { "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": "tert-butyl N-methyl-N-[2-[[1-(1-methyl-2-oxo-3H-indol-5-yl)pyrazol-3-yl]methoxy]ethyl]carbamate", "role": "assistant" } ]
298,347
{ "selfies": "[C][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=Branch1][C][=O][N][Ring1][O][N][=C][Ring1][#C][Cl]", "smiles": "Cc1cc2nc(C(F)(F)F)cc(=O)n2nc1Cl" }
7-chloro-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-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 for the molecule whose SMILES representation is <molecule_2d> ?", "role": "user" }, { "content": "7-chloro-8-methyl-2-(trifluoromethyl)pyrimido[1,2-b]pyridazin-4-one", "role": "assistant" } ]
298,348
{ "selfies": "[C][C][Branch1][C][C][C][=N][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=N][NH1][Ring1][Branch1]", "smiles": "CC(C)c1nccnc1Nc1ccn[nH]1" }
3-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazin-2-amine
[ { "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-propan-2-yl-N-(1H-pyrazol-5-yl)pyrazin-2-amine", "role": "assistant" } ]
298,349
{ "selfies": "[C][C][=C][C][=C][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C][C][C][C][O][C][C][Ring1][Branch1][N][Branch1][P][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring2][Branch2][C][Branch1][C][F][Branch1][C][F][F]", "smiles": "Cc1ccc(NC(=O)C2CC3COCC3N(C(=O)c3c(C)cccc3F)C2c2ccc(NC3CCCC3)cc2)cc1C(F)(F)F" }
(2R,3S,4aR,7aS)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine-3-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": "(2R,3S,4aR,7aS)-2-[4-(cyclopentylamino)phenyl]-1-(2-fluoro-6-methylbenzoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine-3-carboxamide", "role": "assistant" } ]
298,350
{ "selfies": "[C][O][C][=C][C][=N][N][Branch2][Ring1][Ring1][C][C][C][N][Branch1][=Branch2][C][C][Branch1][Ring1][O][C][O][C][C][C][Ring1][N][C][=C][Ring1][P][C][=C][Ring2][Ring1][Branch1][N][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]", "smiles": "COc1cc2nn(C3CCN(CC(OC)OC)CC3)cc2cc1NC(=O)c1ncccc1C(F)(F)F" }
N-[2-[1-(2,2-dimethoxyethyl)piperidin-4-yl]-6-methoxyindazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
[ { "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": "N-[2-[1-(2,2-dimethoxyethyl)piperidin-4-yl]-6-methoxyindazol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide", "role": "assistant" } ]
298,351
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][C][C][O][C][C][Ring1][=Branch1][C][=C][N][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]", "smiles": "CC(C)(C)OC(=O)N(CC1CCOCC1)c1cnc(Cl)cc1[N+](=O)[O-]" }
tert-butyl N-(6-chloro-4-nitropyridin-3-yl)-N-(oxan-4-ylmethyl)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": "tert-butyl N-(6-chloro-4-nitropyridin-3-yl)-N-(oxan-4-ylmethyl)carbamate", "role": "assistant" } ]
298,352
{ "selfies": "[C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][Ring1][C][O][C][Branch1][Ring1][O][C][=N][Ring1][#Branch2]", "smiles": "CCOC(=O)CCc1ccc(CO)c(OC)n1" }
ethyl 3-[5-(hydroxymethyl)-6-methoxypyridin-2-yl]propanoate
[ { "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": "ethyl 3-[5-(hydroxymethyl)-6-methoxypyridin-2-yl]propanoate", "role": "assistant" } ]
298,354
{ "selfies": "[C][=C][Branch1][C][F][C][=Branch1][C][=O][N][C][C][Branch2][Ring2][=Branch1][N][N][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][Branch1][C][Ring2][Ring1][=Branch2]", "smiles": "C=C(F)C(=O)N1CC(n2nc(C=Cc3cccc(C(F)(F)F)c3)c3cccnc32)C1" }
2-fluoro-1-[3-[3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridin-1-yl]azetidin-1-yl]prop-2-en-1-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": "2-fluoro-1-[3-[3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridin-1-yl]azetidin-1-yl]prop-2-en-1-one", "role": "assistant" } ]
298,356
{ "selfies": "[C][=C][C][=C][Branch2][Branch2][Ring1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch2][=Branch1][=N][C][=C][N][=C][Branch2][Ring1][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][C][=C][Ring1][=N][Ring2][Ring1][Ring2][C][Branch2][Ring1][#C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][Ring2][Ring2][=N][=C][Ring2][Branch1][=Branch2][C][=C][Ring2][Branch1][#C]", "smiles": "c1ccc(-c2cc(-c3ccccc3)cc(-c3cnc(-n4c5ccccc5c5c6sc7ccccc7c6ccc54)c(Cc4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2)cc1" }
5-[5-(3,5-diphenylphenyl)-3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]pyridin-2-yl]-[1]benzothiolo[3,2-c]carbazole
[ { "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-[5-(3,5-diphenylphenyl)-3-[(4,6-diphenyl-1,3,5-triazin-2-yl)methyl]pyridin-2-yl]-[1]benzothiolo[3,2-c]carbazole", "role": "assistant" } ]
298,357
{ "selfies": "[C][C][C][C][O][C][C][C][N][Branch2][Ring1][Branch2][C][=C][C][Branch1][Ring2][S][C][#N][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=N][C][Ring2][Ring1][C]", "smiles": "CCCCOC1CCN(c2cc(SC#N)cc(C(F)(F)F)c2)C1" }
[3-[(3S)-3-butoxypyrrolidin-1-yl]-5-(trifluoromethyl)phenyl] thiocyanate
[ { "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": "[3-[(3S)-3-butoxypyrrolidin-1-yl]-5-(trifluoromethyl)phenyl] thiocyanate", "role": "assistant" } ]
298,358
{ "selfies": "[C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][N][=C][C][Branch2][Branch1][Branch1][O][C][C][=N][N][C][=C][Branch2][Ring2][C][O][C][C][C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][=Ring2][Ring1][=C][Ring2][Ring1][O][=C][Ring2][Ring2][Branch2][Cl]", "smiles": "CNc1c([N+](=O)[O-])ncc(Oc2cnn3cc(OCCCC(C)(C)[Si](O)(c4ccccc4)c4ccccc4)ncc23)c1Cl" }
4-chloro-5-[6-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-methyl-2-nitropyridin-3-amine
[ { "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-chloro-5-[6-[4-[hydroxy(diphenyl)silyl]-4-methylpentoxy]pyrazolo[1,5-a]pyrazin-3-yl]oxy-N-methyl-2-nitropyridin-3-amine", "role": "assistant" } ]
298,359
{ "selfies": "[N][#C][S][C][=C][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=C][N][Branch1][P][C][C][C][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O]", "smiles": "N#CSc1cc(C2CC2)cn(CCCN2CCC(F)(F)C2)c1=O" }
[5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-oxopyridin-3-yl] thiocyanate
[ { "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": "[5-cyclopropyl-1-[3-(3,3-difluoropyrrolidin-1-yl)propyl]-2-oxopyridin-3-yl] thiocyanate", "role": "assistant" } ]
298,360
{ "selfies": "[C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][N][Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][N][C][=C][Ring1][=Branch1][B][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][B][C][=C][C][=C][Branch2][#Branch1][Branch2][C][=C][Ring1][=Branch1][N][Branch2][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][C][Branch2][Ring1][=Branch2][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][=C][C][=Branch1][Branch2][=C][Ring2][Ring1][=Branch1][Ring2][Ring2][N][N][Ring2][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Branch1][=Branch1][Branch1][C][C][C][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C]", "smiles": "Cc1ccccc1N(c1cc2c3c(c1)N(c1ccccc1)c1cc4c(cc1B3c1ccccc1N2c1ccccc1)B1c2cc3c(cc2N(c2ccc5c(c2)C(C)(C)CCC5(C)C)c2cc(N(c5ccccc5C)c5c(C)cccc5C)cc(c21)N4c1ccccc1)C(C)(C)CCC3(C)C)c1c(C)cccc1C" }
15-N,25-N-bis(2,6-dimethylphenyl)-32,32,35,35-tetramethyl-15-N,25-N-bis(2-methylphenyl)-12,18,22-triphenyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,18,22,28-tetraza-1,5-diboradecacyclo[21.15.1.15,13.02,21.04,19.06,11.027,39.029,38.031,36.017,40]tetraconta-2(21),3,6,8,10,13(40),14,16,19,23(39),24,26,29,31(36),37-pentadecaene-15,25-diamine
[ { "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": "15-N,25-N-bis(2,6-dimethylphenyl)-32,32,35,35-tetramethyl-15-N,25-N-bis(2-methylphenyl)-12,18,22-triphenyl-28-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-12,18,22,28-tetraza-1,5-diboradecacyclo[21.15.1.15,13.02,21.04,19.06,11.027,39.029,38.031,36.017,40]tetraconta-2(21),3,6,8,10,13(40),14,16,19,23(39),24,26,29,31(36),37-pentadecaene-15,25-diamine", "role": "assistant" } ]
298,361
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][#Branch2][P][N][C][=C][C][Branch2][Ring2][=N][C][=C][C][=Branch2][Ring1][=Branch1][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][Branch2][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][Ring1][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][N][B][Branch2][Branch1][#Branch2][C][=C][C][=C][Branch2][Ring2][C][C][=C][Ring1][=Branch1][N][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=Branch2][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][=Branch2][Branch1][C][C][C][C][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=Ring1][=N][Ring2][=Branch1][Branch2][C][=C][Ring2][=Branch1][=C]", "smiles": "CC(C)(C)c1ccc(N2c3cc(-c4c5c(cc6c4C(C)(C)CCC6(C)C)C(C)(C)CCC5(C)C)cc4c3B(c3cc5c(cc3N4c3ccc4c(c3)C(C)(C)CCC4(C)C)C(C)(C)CCC5(C)C)c3sc4ccc(C(C)(C)C)cc4c32)cc1" }
7-tert-butyl-11-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-14-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-thia-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,9.012,28.018,27.020,25]octacosa-2(10),4(9),5,7,12(28),13,15,18,20(25),26-decaene
[ { "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-tert-butyl-11-(4-tert-butylphenyl)-21,21,24,24-tetramethyl-14-(1,1,4,4,5,5,8,8-octamethyl-2,3,6,7-tetrahydroanthracen-9-yl)-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3-thia-11,17-diaza-1-boraheptacyclo[14.11.1.02,10.04,9.012,28.018,27.020,25]octacosa-2(10),4(9),5,7,12(28),13,15,18,20(25),26-decaene", "role": "assistant" } ]
298,362
{ "selfies": "[C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch2][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][Branch2][Ring1][=Branch1][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][=N][Ring1][#Branch2][B][Ring2][Ring1][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][N][Ring2][Ring2][N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=Branch2][Branch1][C][C][C]", "smiles": "Cc1cc2c3c(c1)N(c1ccc4c(c1)C(C)(C)CCC4(C)C)c1c(sc4cc(C(C)(C)C)ccc14)B3c1cc(C(C)(C)C)ccc1N2c1ccc(C(C)(C)C)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C" }
4,19-ditert-butyl-8-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-11-methyl-14-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaene
[ { "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": "4,19-ditert-butyl-8-[4-tert-butyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-11-methyl-14-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaene", "role": "assistant" } ]
298,363
{ "selfies": "[C][C][=N][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][B][Ring1][#Branch2][C][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][=Ring1][=N][N][Ring2][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=Branch2][Branch1][C][C][C]", "smiles": "Cc1nc(C)c2c3c1Oc1ccccc1B3c1sc3cc(C(C)(C)C)ccc3c1N2c1ccc2c(c1)C(C)(C)CCC2(C)C" }
19-tert-butyl-10,12-dimethyl-14-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-8-oxa-22-thia-11,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9,11,13(24),15(23),16(21),17,19-decaene
[ { "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": "19-tert-butyl-10,12-dimethyl-14-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-8-oxa-22-thia-11,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2,4,6,9,11,13(24),15(23),16(21),17,19-decaene", "role": "assistant" } ]
298,364
{ "selfies": "[C][C][=C][C][=C][O][C][=C][Branch1][#Branch1][C][Ring1][Branch1][=C][Ring1][=Branch2][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][B][Ring2][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N][Ring1][=C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=Branch2][Branch1][C][C][C]", "smiles": "Cc1ccc2oc3c(c2c1)N(c1ccc(C(C)(C)C)cc1)c1cccc2c1B3c1oc3ccc(C)cc3c1N2c1ccc2c(c1)C(C)(C)CCC2(C)C" }
11-(4-tert-butylphenyl)-7,21-dimethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaene
[ { "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": "11-(4-tert-butylphenyl)-7,21-dimethyl-17-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-3,25-dioxa-11,17-diaza-1-boraheptacyclo[14.10.1.02,10.04,9.012,27.018,26.019,24]heptacosa-2(10),4(9),5,7,12(27),13,15,18(26),19(24),20,22-undecaene", "role": "assistant" } ]
298,365
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][B][C][S][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch2][C][=Ring1][=N][N][Branch2][Ring1][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=Branch2][Branch1][C][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Branch1][#Branch1][=C][Ring1][#Branch2][Ring2][Ring2][#Branch1][N][Ring2][Ring2][O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]", "smiles": "CC(C)(C)c1ccc2c(c1)B1c3sc4cc(C(C)(C)C)ccc4c3N(c3ccc4c(c3)C(C)(C)CCC4(C)C)c3cc(C(C)(C)C)cc(c31)N2c1ccc(C(C)(C)C)cc1-c1ccccc1" }
4,11,19-tritert-butyl-8-(4-tert-butyl-2-phenylphenyl)-14-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaene
[ { "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": "4,11,19-tritert-butyl-8-(4-tert-butyl-2-phenylphenyl)-14-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-22-thia-8,14-diaza-1-borahexacyclo[11.10.1.02,7.09,24.015,23.016,21]tetracosa-2(7),3,5,9,11,13(24),15(23),16(21),17,19-decaene", "role": "assistant" } ]
298,366
{ "selfies": "[C][C][Branch2][Ring1][Branch2][N][C][C][=N][C][=C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][N][=C][Ring1][#Branch2][N][=Ring1][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][C][F]", "smiles": "CC(Nc1cnc2cn(CCN(C)C)nc2n1)c1cc(NC(=O)c2cnc(C(F)(F)F)s2)ccc1F" }
N-[3-[(1S)-1-[[2-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]ethyl]-4-fluorophenyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide
[ { "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": "N-[3-[(1S)-1-[[2-[2-(dimethylamino)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]amino]ethyl]-4-fluorophenyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide", "role": "assistant" } ]
298,367
{ "selfies": "[C][C][N][C][=C][N][=C][C][Branch2][Ring2][#Branch1][N][C][Branch1][C][C][C][=C][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][=C][C][Branch1][C][C][=C][Branch1][C][Cl][C][=N][Ring1][Branch2][=C][C][=C][Ring2][Ring1][C][C][=N][C][Ring2][Ring1][N][=N][Ring2][Ring1][#C]", "smiles": "CCn1cc2ncc(NC(C)c3cc(NC(=O)Cc4cc(C)c(Cl)cn4)ccc3C)nc2n1" }
2-(5-chloro-4-methylpyridin-2-yl)-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-methylphenyl]acetamide
[ { "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-(5-chloro-4-methylpyridin-2-yl)-N-[3-[(1S)-1-[(2-ethylpyrazolo[3,4-b]pyrazin-6-yl)amino]ethyl]-4-methylphenyl]acetamide", "role": "assistant" } ]
298,368
{ "selfies": "[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Branch2][Ring1][O][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][C][C][C]", "smiles": "COC(=O)CCCCCCCCCC(=O)CCCCCCCC(CCCCCCCC(=O)OCCCCCCCCC(=O)OC)OC(=O)CCCN(C)C" }
1-O-(9-methoxy-9-oxononyl) 27-O-methyl 9-[4-(dimethylamino)butanoyloxy]-17-oxoheptacosanedioate
[ { "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-O-(9-methoxy-9-oxononyl) 27-O-methyl 9-[4-(dimethylamino)butanoyloxy]-17-oxoheptacosanedioate", "role": "assistant" } ]
298,369
{ "selfies": "[C][C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][N][Branch2][Ring1][S][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][=Branch2][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][O]", "smiles": "CCCCCCCCCOC(=O)CCCCCN(CCCCCCCC(=O)OC(CCCCCCCC)CCCCCCCC)CCOCCO" }
heptadecan-9-yl 8-[2-(2-hydroxyethoxy)ethyl-(6-nonoxy-6-oxohexyl)amino]octanoate
[ { "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": "heptadecan-9-yl 8-[2-(2-hydroxyethoxy)ethyl-(6-nonoxy-6-oxohexyl)amino]octanoate", "role": "assistant" } ]
298,370
{ "selfies": "[C][C][=C][Branch2][Ring1][Ring2][C][C][=C][Branch1][C][O][C][=C][Branch1][C][Cl][C][=N][N][Ring1][=Branch1][C][=Ring1][O][N][=N][N][Ring1][S][C][C][C][Branch1][C][O][C][Ring1][Branch1]", "smiles": "Cc1c(-c2cc(O)c3c(Cl)cnn3c2)nnn1C1CC(O)C1" }
3-chloro-6-[1-(3-hydroxycyclobutyl)-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-ol
[ { "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-chloro-6-[1-(3-hydroxycyclobutyl)-5-methyltriazol-4-yl]pyrazolo[1,5-a]pyridin-4-ol", "role": "assistant" } ]
298,371
{ "selfies": "[C][O][C][=C][C][Branch2][Ring2][Ring2][C][N][=N][N][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][=Ring2][Ring1][C][C][=C][C][=N][C][=C][Branch1][Ring1][C][#N][N][Ring2][Ring1][=C][Ring1][#Branch1]", "smiles": "COc1cc(-c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)cc2ncc(C#N)n12" }
tert-butyl 4-[4-(3-cyano-5-methoxyimidazo[1,2-a]pyridin-7-yl)-5-methyltriazol-1-yl]piperidine-1-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": "tert-butyl 4-[4-(3-cyano-5-methoxyimidazo[1,2-a]pyridin-7-yl)-5-methyltriazol-1-yl]piperidine-1-carboxylate", "role": "assistant" } ]
298,372
{ "selfies": "[C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][N][C][=C][Branch2][=Branch2][Branch1][C][O][C][C][O][C][C][C][C][Branch2][Branch2][C][C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][C][Branch1][C][C][C][=C][Branch1][C][C][C][Branch1][C][O][C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Branch1][C][C][C][Branch1][Ring1][O][C][C][C][C][C][C][Branch1][C][C][C][Branch1][C][O][Branch1][Ring2][O][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O][Ring2][Branch1][Branch1][C][C][Ring2][Branch1][=C][O][C][N][=N][Ring2][=Branch1][#Branch2]", "smiles": "COCCOCCOCCOCCOCCn1cc(COCCOC2CCC(CC(C)C3CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(OC)CC4CCC(C)C(O)(O4)C(=O)C(=O)N4CCCCC4C(=O)O3)CC2OC)nn1" }
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[2-[[1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
[ { "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": "(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-19,30-dimethoxy-12-[(2R)-1-[(1S,3R,4R)-3-methoxy-4-[2-[[1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]ethoxy]cyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone", "role": "assistant" } ]
298,373
{ "selfies": "[C][C][C][N][Branch2][Ring2][Branch2][C][=C][C][Branch2][Ring1][N][C][=N][NH1][C][=C][C][Branch1][C][F][=C][Branch1][#Branch2][O][C][Branch1][C][C][C][C][Ring1][Ring2][C][=C][Ring1][#C][Ring1][N][=N][C][=N][Ring2][Ring1][Branch1][C][C][N][Ring2][Ring1][O][C]", "smiles": "CC1CN(c2cc(-c3n[nH]c4cc(F)c(OC5(C)CC5)cc34)ncn2)CCN1C" }
3-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazole
[ { "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-[6-[(3S)-3,4-dimethylpiperazin-1-yl]pyrimidin-4-yl]-6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazole", "role": "assistant" } ]
298,374
{ "selfies": "[C][O][C][Branch1][C][C][C][C][C][C][N][Branch1][N][C][C][C][C][Branch1][Ring1][O][C][C][Ring1][=Branch1][C][C][Ring1][=N]", "smiles": "COC(C)CC1CCN(CC2CC(OC)C2)CC1" }
1-[(3-methoxycyclobutyl)methyl]-4-(2-methoxypropyl)piperidine
[ { "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": "1-[(3-methoxycyclobutyl)methyl]-4-(2-methoxypropyl)piperidine", "role": "assistant" } ]
298,375
{ "selfies": "[C][=C][C][=Branch1][C][=O][N][C][C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Ring2]", "smiles": "C=CC(=O)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1" }
1-[5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-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": "1-[5-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one", "role": "assistant" } ]
298,376
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][Ring2][C][=N][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][=N][N][C][=C][C][=C][Ring2][Ring1][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch2]", "smiles": "CC(C)(C)c1ccc(-c2nc3cc(C(=O)NS(C)(=O)=O)ccc3n3cccc23)cc1" }
4-(4-tert-butylphenyl)-N-methylsulfonylpyrrolo[1,2-a]quinoxaline-7-carboxamide
[ { "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-(4-tert-butylphenyl)-N-methylsulfonylpyrrolo[1,2-a]quinoxaline-7-carboxamide", "role": "assistant" } ]
298,378
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Branch2][#Branch2][N][C][N][Branch2][=Branch1][#C][C][=C][C][=C][C][Branch2][=Branch1][Ring1][O][C][=C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][Ring2][Ring1][Ring1][N][Branch2][Ring1][Ring1][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=N][Ring1][#Branch2][C][Ring2][Ring1][S][=C][Ring2][Ring2][Ring2][=C][Ring2][Ring2][O][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][N][Ring2][Branch1][#Branch2][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][=Branch1][Ring2]", "smiles": "CC(C)(C)c1cc(N2CN(c3cccc(Oc4ccc5c6c(-n7c8ccccc8c8ccccc87)cccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3cc(-c4ccccc4)ccc32)cc(C(C)(C)C)c1" }
9-(4-tert-butylpyridin-2-yl)-5-carbazol-9-yl-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole
[ { "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": "9-(4-tert-butylpyridin-2-yl)-5-carbazol-9-yl-2-[3-[3-(3,5-ditert-butylphenyl)-6-phenyl-2H-benzimidazol-1-yl]phenoxy]carbazole", "role": "assistant" } ]
298,379
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][=Branch2][=N][C][=C][N][=C][Branch2][Branch2][=Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch2][Ring1][Ring2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Branch2][Branch1][O][O][C][=C][C][=C][C][Branch2][Ring2][=C][N][C][N][Branch2][Ring1][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][=N][C][=C][Ring2][Ring2][P][Ring2][Branch1][Branch2][C][=C][Ring2][Branch1][=C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][=Branch1][Branch2]", "smiles": "CC(C)(C)c1ccc(-c2cnc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)cc(Oc5cccc(N6CN(c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7ccccc76)c5)cc43)cc2C(C)(C)C)cc1" }
9-[9-[4-tert-butyl-5-(4-tert-butylphenyl)pyridin-2-yl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole
[ { "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-[9-[4-tert-butyl-5-(4-tert-butylphenyl)pyridin-2-yl]-2-[3-[3-(3,5-ditert-butylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazol-4-yl]-1,2,3,4,5,6,7,8-octadeuteriocarbazole", "role": "assistant" } ]
298,380
{ "selfies": "[C][N][=C][C][=Branch1][Ring1][=C][N][C][=C][C][Branch1][C][F][=C][Branch2][Branch1][#C][C][O][C][=C][C][=C][C][Branch2][Ring2][P][C][=C][C][Branch1][C][F][=C][Branch2][Ring1][P][C][C][=N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N][Ring1][N][C][C][O][C][C][Ring1][Branch1][Branch1][C][C][C][C][=C][Ring2][Ring1][O][F][=N][Ring2][Ring2][C][C][=N][Ring2][Ring2][O]", "smiles": "CN=CC(=CN)c1cc(F)c(COc2cccc(-c3cc(F)c(Cc4nc5ccc(C(=O)O)cc5n4C4COCC4(C)C)cc3F)n2)cn1" }
2-[[4-[6-[[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-4-fluoropyridin-3-yl]methoxy]pyridin-2-yl]-2,5-difluorophenyl]methyl]-3-[(3R)-4,4-dimethyloxolan-3-yl]benzimidazole-5-carboxylic 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-[[4-[6-[[6-[(E)-1-amino-3-methyliminoprop-1-en-2-yl]-4-fluoropyridin-3-yl]methoxy]pyridin-2-yl]-2,5-difluorophenyl]methyl]-3-[(3R)-4,4-dimethyloxolan-3-yl]benzimidazole-5-carboxylic acid", "role": "assistant" } ]
298,381
{ "selfies": "[C][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][N][=C][Branch2][Ring2][Branch1][N][C][=C][C][Branch1][C][F][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][C][C][N][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][C][C][N][Ring1][P][Ring1][N][N][=C][Ring2][Ring1][N][N][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][C][Ring2][Ring2][=Branch1][=O]", "smiles": "CC(=O)c1c(C)c2cnc(Nc3cc(F)c4c(c3)OCC3CN(C5CCNCC5)CCN43)nc2n(C2CCCC2)c1=O" }
6-acetyl-2-[[(4aR)-10-fluoro-3-piperidin-4-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-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": "6-acetyl-2-[[(4aR)-10-fluoro-3-piperidin-4-yl-2,4,4a,5-tetrahydro-1H-pyrazino[2,1-c][1,4]benzoxazin-8-yl]amino]-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one", "role": "assistant" } ]
298,382
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][#Branch1][C][#N][=C][C][=N][Ring2][Ring1][Branch1]", "smiles": "CC(C)(C)OC(=O)NCc1cc(C(=O)NCC(=O)N2CC(F)(F)CC2C#N)ccn1" }
tert-butyl N-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyridin-2-yl]methyl]carbamate
[ { "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": "tert-butyl N-[[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]pyridin-2-yl]methyl]carbamate", "role": "assistant" } ]
298,383
{ "selfies": "[N][#C][C][=C][C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][=C][C][=C][Ring2][Ring1][Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F]", "smiles": "N#Cc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1-n1c2ccccc2c2cc3c(cc21)c1ccccc1n3-c1ccccc1C(F)(F)F" }
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-[2-(trifluoromethyl)phenyl]indolo[3,2-b]carbazol-11-yl]benzonitrile
[ { "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-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[5-[2-(trifluoromethyl)phenyl]indolo[3,2-b]carbazol-11-yl]benzonitrile", "role": "assistant" } ]
298,384
{ "selfies": "[C-1][#N+1][C][=C][C][=C][Branch2][=Branch1][S][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch2][Ring2][N][C][=C][C][=C][Branch2][Ring1][=C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2][C][#N][C][Ring2][Ring2][Ring1][=C][C][=C][Ring2][Ring2][#Branch1][Ring2][Ring2][=C][C][=C][Ring2][Branch1][Ring2]", "smiles": "[C-]#[N+]c1ccc(-n2c3ccccc3c3c4c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5C#N)c4ccc32)cc1" }
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[14-(4-isocyanophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]benzonitrile
[ { "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-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[14-(4-isocyanophenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl]benzonitrile", "role": "assistant" } ]
298,385
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][#Branch1][S+1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][=N][S][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N]", "smiles": "CC(C)(C)c1cc([S+](c2ccc(-c3ccccc3)cc2)c2ccccc2C(C)(C)C)ccc1Sc1ccc(-c2ccccc2)cc1" }
(2-tert-butylphenyl)-[3-tert-butyl-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium
[ { "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-tert-butylphenyl)-[3-tert-butyl-4-(4-phenylphenyl)sulfanylphenyl]-(4-phenylphenyl)sulfanium", "role": "assistant" } ]
298,386
{ "selfies": "[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch2][=Branch1][=Branch2][C][O][C][N][=C][Branch1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S][N][=C][N][Ring1][Branch1][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][C][Branch1][Ring1][C][O][O][Ring2][Ring1][=Branch2][C][=C][Ring2][Branch1][Ring2]", "smiles": "CC(C)(C)C(=O)Oc1ccc(COC2N=C(NC(=O)Cc3ccccc3)Nc3c2ncn3C2CN(C(=O)OCC3c4ccccc4-c4ccccc43)CC(CO)O2)cc1" }
9H-fluoren-9-ylmethyl (2R,6S)-2-[6-[[4-(2,2-dimethylpropanoyloxy)phenyl]methoxy]-2-[(2-phenylacetyl)amino]-3,6-dihydropurin-9-yl]-6-(hydroxymethyl)morpholine-4-carboxylate
[ { "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": "9H-fluoren-9-ylmethyl (2R,6S)-2-[6-[[4-(2,2-dimethylpropanoyloxy)phenyl]methoxy]-2-[(2-phenylacetyl)amino]-3,6-dihydropurin-9-yl]-6-(hydroxymethyl)morpholine-4-carboxylate", "role": "assistant" } ]