CAS RN: 63204-27-3
CAS Name: 5-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
OPENEYE Name: 5-[(4-chlorophenyl)methyl]-2-thioxo-1H-pyrimidin-4-one
IUPAC Name: 5-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
SYSTEMATIC NAME: 5-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-pyrimidin-4-one
MOLECULAR FORMULA: C11H9ClN2OS
MOLECULAR WEIGHT: 252.71996
SMILES: C1=CC(=CC=C1CC2=CNC(=S)NC2=O)Cl
Structure:
CAS RN: 83726-98-1
CAS Name: 1,2-dihydro-[1,2,4]triazolo[3,4-f]purine-3-thione
OPENEYE Name: 1,2-dihydro-[1,2,4]triazolo[3,4-f]purine-3-thione
IUPAC Name: 1,2-dihydro-[1,2,4]triazolo[3,4-f]purine-3-thione
SYSTEMATIC NAME: 1,2-dihydro-[1,2,4]triazolo[3,4-f]purine-3-thione
MOLECULAR FORMULA: C6H4N6S
MOLECULAR WEIGHT: 192.20116
SMILES: C1=NC2=C3NNC(=S)N3C=NC2=N1
Structure:
CAS RN: 880-87-5
CAS Name: 5,7-dimethoxy-2,3-dihydroinden-1-one
OPENEYE Name: 5,7-dimethoxyindan-1-one
IUPAC Name: 5,7-dimethoxy-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 5,7-dimethoxy-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: COC1=CC(=C2C(=C1)CCC2=O)OC
Structure:
CAS RN: 304853-42-7
CAS Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-methyl-2-pyrrolecarbonitrile
OPENEYE Name: 5-(4,4-dimethyl-2-thioxo-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbonitrile
IUPAC Name: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-methylpyrrole-2-carbonitrile
SYSTEMATIC NAME: 5-(4,4-dimethyl-2-sulfanylidene-1H-3,1-benzoxazin-6-yl)-1-methyl-pyrrole-2-carbonitrile
MOLECULAR FORMULA: C16H15N3OS
MOLECULAR WEIGHT: 297.3748
SMILES: CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=S)O1)C
Structure:
CAS RN: 138660-09-0
CAS Name: 1-(2-hydroxyethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-[(3-benzyloxyphenyl)methyl]-1-(2-hydroxyethoxymethyl)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 1-(2-hydroxyethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1-(2-hydroxyethyloxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C21H22N2O6
MOLECULAR WEIGHT: 398.40918
SMILES: C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3C(=O)NC(=O)N(C3=O)COCCO
Structure:
CAS RN: 486460-32-6
CAS Name: (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)-1-butanone
OPENEYE Name: (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
IUPAC Name: (3R)-3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
SYSTEMATIC NAME: (3R)-3-azanyl-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-[2,4,5-tris(fluoranyl)phenyl]butan-1-one
MOLECULAR FORMULA: C16H15F6N5O
MOLECULAR WEIGHT: 407.313619
SMILES: C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N
Structure:
CAS RN: 143-62-4
CAS Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
OPENEYE Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
IUPAC Name: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
SYSTEMATIC NAME: 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
MOLECULAR FORMULA: C23H34O4
MOLECULAR WEIGHT: 374.51366
SMILES: C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O
Structure:
CAS RN: 432-70-2
CAS Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohex-2-enyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
OPENEYE Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
IUPAC Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
SYSTEMATIC NAME: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
MOLECULAR FORMULA: C40H56
MOLECULAR WEIGHT: 536.87264
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(=CCCC2(C)C)C)/C)/C
Structure:
CAS RN: 7488-99-5
CAS Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohex-2-enyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
OPENEYE Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
IUPAC Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
SYSTEMATIC NAME: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
MOLECULAR FORMULA: C40H56
MOLECULAR WEIGHT: 536.87264
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(=CCCC2(C)C)C)/C)/C
Structure:
CAS RN: 24319-81-1
CAS Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohex-2-enyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
OPENEYE Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
IUPAC Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
SYSTEMATIC NAME: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
MOLECULAR FORMULA: C40H56
MOLECULAR WEIGHT: 536.87264
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(=CCCC2(C)C)C)/C)/C
Structure:
CAS RN: 52646-96-5
CAS Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethyl-1-cyclohex-2-enyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
OPENEYE Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
IUPAC Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
SYSTEMATIC NAME: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohex-2-en-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene
MOLECULAR FORMULA: C40H56
MOLECULAR WEIGHT: 536.87264
SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C2C(=CCCC2(C)C)C)/C)/C
Structure:
CAS RN: 141672-08-4
CAS Name: (2Z,5R,6S,9S,12S,13S,16R)-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-9-propan-2-yl-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
OPENEYE Name: (2Z,5R,6S,9S,12S,13S,16R)-2-ethylidene-9-isopropyl-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
IUPAC Name: (2Z,5R,6S,9S,12S,13S,16R)-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentaoxo-9-propan-2-yl-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
SYSTEMATIC NAME: (2Z,5R,6S,9S,12S,13S,16R)-2-ethylidene-12-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,6,13-trimethyl-3,7,10,14,19-pentakis(oxidanylidene)-9-propan-2-yl-1,4,8,11,15-pentazacyclononadecane-5,16-dicarboxylic acid
MOLECULAR FORMULA: C40H57N5O10
MOLECULAR WEIGHT: 767.90808
SMILES: C/C=C\1/C(=O)N[C@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H]([C@@H](C(=O)N[C@H](CCC(=O)N1C)C(=O)O)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C)C(C)C)C)C(=O)O
Structure:
CAS RN: 6490-65-9
CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-methoxy-2-phenylacetamide
OPENEYE Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-methoxy-2-phenyl-acetamide
IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methoxy-2-phenylacetamide
SYSTEMATIC NAME: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-methoxy-2-phenyl-ethanamide
MOLECULAR FORMULA: C20H21N3O3
MOLECULAR WEIGHT: 351.39904
SMILES: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(C3=CC=CC=C3)OC
Structure:
CAS RN: 6311-13-3
CAS Name: N-[(5-nitro-2-pyridinyl)amino]carbamic acid 2-[2-[[(5-nitro-2-pyridinyl)hydrazo]-oxomethoxy]ethoxy]ethyl ester
OPENEYE Name: 2-[2-[[(5-nitro-2-pyridyl)amino]carbamoyloxy]ethoxy]ethyl N-[(5-nitro-2-pyridyl)amino]carbamate
IUPAC Name: 2-[2-[[(5-nitropyridin-2-yl)amino]carbamoyloxy]ethoxy]ethyl N-[(5-nitropyridin-2-yl)amino]carbamate
SYSTEMATIC NAME: 2-[2-[[(5-nitropyridin-2-yl)amino]carbamoyloxy]ethoxy]ethyl N-[(5-nitropyridin-2-yl)amino]carbamate
MOLECULAR FORMULA: C16H18N8O9
MOLECULAR WEIGHT: 466.36232
SMILES: C1=CC(=NC=C1[N+](=O)[O-])NNC(=O)OCCOCCOC(=O)NNC2=NC=C(C=C2)[N+](=O)[O-]
Structure:
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