Thursday, January 31, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 5-[(7-chloro-3-cyclohexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]oxazolidin-2-one
CAS Name: 5-[[(7-chloro-3-cyclohexyl-4-oxo-2-quinazolinyl)thio]methyl]-2-oxazolidinone
IUPAC NAME: 5-[(7-chloro-3-cyclohexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[(7-chloranyl-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C18H20ClN3O3S
MOLECULAR WEIGHT: 393.8877
SMILES: C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4CNC(=O)O4
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Product OPENEYE NAME: (3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methyl tetrahydrofuran-2-carboxylate
CAS Name: 2-oxolanecarboxylic acid (3-methyl-5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester
IUPAC NAME: (3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl oxolane-2-carboxylate
SYSTEMATIC NAME: (3-methyl-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl oxolane-2-carboxylate
MOLECULAR FORMULA: C13H14N2O4S
MOLECULAR WEIGHT: 294.32626
SMILES: CC1=CSC2=NC(=CC(=O)N12)COC(=O)C3CCCO3
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Product OPENEYE NAME: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)propanamide
CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(2-methylcyclohexyl)propanamide
IUPAC NAME: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)propanamide
SYSTEMATIC NAME: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(2-methylcyclohexyl)propanamide
MOLECULAR FORMULA: C15H21N5OS
MOLECULAR WEIGHT: 319.42514
SMILES: CC1CCCCC1NC(=O)C(C)SC2=NC=C(C(=N2)N)C#N
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Product OPENEYE NAME: methyl 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetate
CAS Name: 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylthio]acetic acid methyl ester
IUPAC NAME: methyl 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetate
SYSTEMATIC NAME: methyl 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]ethanoate
MOLECULAR FORMULA: C12H11ClN2O3S
MOLECULAR WEIGHT: 298.74534
SMILES: COC(=O)CSCC1=NC(=NO1)C2=CC=C(C=C2)Cl
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Product OPENEYE NAME: methyl 2-[4-[(3-cyanophenyl)methoxy]phenyl]acetate
CAS Name: 2-[4-[(3-cyanophenyl)methoxy]phenyl]acetic acid methyl ester
IUPAC NAME: methyl 2-[4-[(3-cyanophenyl)methoxy]phenyl]acetate
SYSTEMATIC NAME: methyl 2-[4-[(3-cyanophenyl)methoxy]phenyl]ethanoate
MOLECULAR FORMULA: C17H15NO3
MOLECULAR WEIGHT: 281.3059
SMILES: COC(=O)CC1=CC=C(C=C1)OCC2=CC=CC(=C2)C#N
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Product OPENEYE NAME: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(p-tolyl)propanenitrile
CAS Name: 3-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]propanenitrile
IUPAC NAME: 3-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
SYSTEMATIC NAME: 3-(4-methylphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
MOLECULAR FORMULA: C13H13N3S2
MOLECULAR WEIGHT: 275.39242
SMILES: CC1=CC=C(C=C1)CC(C#N)SC2=NN=C(S2)C
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Product OPENEYE NAME: N-(cyclohexen-1-yl)-N-ethyl-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CAS Name: N-(1-cyclohexenyl)-N-ethyl-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]thio]acetamide
IUPAC NAME: N-(cyclohexen-1-yl)-N-ethyl-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
SYSTEMATIC NAME: N-(cyclohexen-1-yl)-N-ethyl-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide
MOLECULAR FORMULA: C14H19F3N4OS
MOLECULAR WEIGHT: 348.38707
SMILES: CCN(C1=CCCCC1)C(=O)CSC2=NN=C(N2C)C(F)(F)F
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Product OPENEYE NAME: 3-[[4-(tetrazol-1-yl)phenoxy]methyl]benzonitrile
CAS Name: 3-[[4-(1-tetrazolyl)phenoxy]methyl]benzonitrile
IUPAC NAME: 3-[[4-(tetrazol-1-yl)phenoxy]methyl]benzonitrile
SYSTEMATIC NAME: 3-[[4-(1,2,3,4-tetrazol-1-yl)phenoxy]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C15H11N5O
MOLECULAR WEIGHT: 277.28074
SMILES: C1=CC(=CC(=C1)COC2=CC=C(C=C2)N3C=NN=N3)C#N
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Product OPENEYE NAME: prop-2-ynyl 3-(tert-butylsulfamoyl)benzoate
CAS Name: 3-(tert-butylsulfamoyl)benzoic acid prop-2-ynyl ester
IUPAC NAME: prop-2-ynyl 3-(tert-butylsulfamoyl)benzoate
SYSTEMATIC NAME: prop-2-ynyl 3-(tert-butylsulfamoyl)benzoate
MOLECULAR FORMULA: C14H17NO4S
MOLECULAR WEIGHT: 295.35408
SMILES: CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)C(=O)OCC#C
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Product OPENEYE NAME: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate
CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[1-cyclohexenyl(cyclopropyl)amino]-2-oxoethyl] ester
IUPAC NAME: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl] 3-aminopyrazine-2-carboxylate
SYSTEMATIC NAME: [2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate
MOLECULAR FORMULA: C16H20N4O3
MOLECULAR WEIGHT: 316.355
SMILES: C1CCC(=CC1)N(C2CC2)C(=O)COC(=O)C3=NC=CN=C3N
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Product OPENEYE NAME: [2-(2-methyl-1-piperidyl)-2-oxo-ethyl] quinoxaline-2-carboxylate
CAS Name: 2-quinoxalinecarboxylic acid [2-(2-methyl-1-piperidinyl)-2-oxoethyl] ester
IUPAC NAME: [2-(2-methylpiperidin-1-yl)-2-oxoethyl] quinoxaline-2-carboxylate
SYSTEMATIC NAME: [2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] quinoxaline-2-carboxylate
MOLECULAR FORMULA: C17H19N3O3
MOLECULAR WEIGHT: 313.35106
SMILES: CC1CCCCN1C(=O)COC(=O)C2=NC3=CC=CC=C3N=C2
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Product OPENEYE NAME: N-(cyclohexen-1-yl)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CAS Name: N-(1-cyclohexenyl)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide
IUPAC NAME: N-(cyclohexen-1-yl)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SYSTEMATIC NAME: N-(cyclohexen-1-yl)-N-ethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide
MOLECULAR FORMULA: C13H20N4OS
MOLECULAR WEIGHT: 280.3891
SMILES: CCN(C1=CCCCC1)C(=O)CSC2=NN=CN2C
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Product OPENEYE NAME: 5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxo-ethyl]imidazolidine-2,4-dione
CAS Name: 5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methyl-2-pyrrolyl)-2-oxoethyl]imidazolidine-2,4-dione
IUPAC NAME: 5-(2,5-difluorophenyl)-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
SYSTEMATIC NAME: 5-[2,5-bis(fluoranyl)phenyl]-5-methyl-3-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]imidazolidine-2,4-dione
MOLECULAR FORMULA: C17H15F2N3O3
MOLECULAR WEIGHT: 347.316106
SMILES: CC1(C(=O)N(C(=O)N1)CC(=O)C2=CC=CN2C)C3=C(C=CC(=C3)F)F
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Product OPENEYE NAME: 2-(3,5-dimethylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole
CAS Name: 2-(3,5-dimethylphenyl)-5-(methylthio)-1,3,4-oxadiazole
IUPAC NAME: 2-(3,5-dimethylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(3,5-dimethylphenyl)-5-methylsulfanyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C11H12N2OS
MOLECULAR WEIGHT: 220.29078
SMILES: CC1=CC(=CC(=C1)C2=NN=C(O2)SC)C
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Product OPENEYE NAME: 5-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]oxazolidin-2-one
CAS Name: 5-[[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-2-oxazolidinone
IUPAC NAME: 5-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
SYSTEMATIC NAME: 5-[[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
MOLECULAR FORMULA: C16H19N3O3S
MOLECULAR WEIGHT: 333.40536
SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)SCC3CNC(=O)O3
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