Thursday, May 30, 2013

All Chemical Compounds Information




Product OPENEYE NAME: [(1R)-2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 3-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoate
CAS Name: 3-[[(2R)-2-oxolanyl]methoxy]benzoic acid [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methoxy]benzoate
SYSTEMATIC NAME: [(2R)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-[[(2R)-oxolan-2-yl]methoxy]benzoate
MOLECULAR FORMULA: C22H25NO7S
MOLECULAR WEIGHT: 447.5014
SMILES: C[C@H](C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC(=CC=C2)OC[C@H]3CCCO3
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Product OPENEYE NAME: [(1S)-2-[4-(methanesulfonamido)phenyl]-1-methyl-2-oxo-ethyl] 3-[[(2R)-tetrahydrofuran-2-yl]methoxy]benzoate
CAS Name: 3-[[(2R)-2-oxolanyl]methoxy]benzoic acid [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-[4-(methanesulfonamido)phenyl]-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methoxy]benzoate
SYSTEMATIC NAME: [(2S)-1-[4-(methylsulfonylamino)phenyl]-1-oxidanylidene-propan-2-yl] 3-[[(2R)-oxolan-2-yl]methoxy]benzoate
MOLECULAR FORMULA: C22H25NO7S
MOLECULAR WEIGHT: 447.5014
SMILES: C[C@@H](C(=O)C1=CC=C(C=C1)NS(=O)(=O)C)OC(=O)C2=CC(=CC=C2)OC[C@H]3CCCO3
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Product OPENEYE NAME: (4-oxo-1H-quinazolin-2-yl)methyl (3S)-1-(3-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate
CAS Name: (3S)-1-(3-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-oxo-1H-quinazolin-2-yl)methyl ester
IUPAC NAME: (4-oxo-1H-quinazolin-2-yl)methyl (3S)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: (4-oxidanylidene-1H-quinazolin-2-yl)methyl (3S)-1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C21H18FN3O4
MOLECULAR WEIGHT: 395.383723
SMILES: CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3)F
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Product OPENEYE NAME: (4-oxo-1H-quinazolin-2-yl)methyl (3R)-1-(3-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate
CAS Name: (3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid (4-oxo-1H-quinazolin-2-yl)methyl ester
IUPAC NAME: (4-oxo-1H-quinazolin-2-yl)methyl (3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: (4-oxidanylidene-1H-quinazolin-2-yl)methyl (3R)-1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C21H18FN3O4
MOLECULAR WEIGHT: 395.383723
SMILES: CC1=C(C=C(C=C1)N2C[C@@H](CC2=O)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3)F
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Product OPENEYE NAME: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (3S)-1-(3-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate
CAS Name: (3S)-1-(3-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester
IUPAC NAME: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (3S)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (3S)-1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C23H23FN6O3
MOLECULAR WEIGHT: 450.465523
SMILES: CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N)F
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Product OPENEYE NAME: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (3R)-1-(3-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate
CAS Name: (3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl ester
IUPAC NAME: [4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: [4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (3R)-1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C23H23FN6O3
MOLECULAR WEIGHT: 450.465523
SMILES: CC1=C(C=C(C=C1)N2C[C@@H](CC2=O)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N)F
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Product OPENEYE NAME: N-methyl-N-[(1R)-1-(2-thienyl)ethyl]quinoline-5-carboxamide
CAS Name: N-methyl-N-[(1R)-1-thiophen-2-ylethyl]-5-quinolinecarboxamide
IUPAC NAME: N-methyl-N-[(1R)-1-thiophen-2-ylethyl]quinoline-5-carboxamide
SYSTEMATIC NAME: N-methyl-N-[(1R)-1-thiophen-2-ylethyl]quinoline-5-carboxamide
MOLECULAR FORMULA: C17H16N2OS
MOLECULAR WEIGHT: 296.38674
SMILES: C[C@H](C1=CC=CS1)N(C)C(=O)C2=C3C=CC=NC3=CC=C2
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Product OPENEYE NAME: N-methyl-N-[(1S)-1-(2-thienyl)ethyl]quinoline-5-carboxamide
CAS Name: N-methyl-N-[(1S)-1-thiophen-2-ylethyl]-5-quinolinecarboxamide
IUPAC NAME: N-methyl-N-[(1S)-1-thiophen-2-ylethyl]quinoline-5-carboxamide
SYSTEMATIC NAME: N-methyl-N-[(1S)-1-thiophen-2-ylethyl]quinoline-5-carboxamide
MOLECULAR FORMULA: C17H16N2OS
MOLECULAR WEIGHT: 296.38674
SMILES: C[C@@H](C1=CC=CS1)N(C)C(=O)C2=C3C=CC=NC3=CC=C2
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Product OPENEYE NAME: [3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]methyl (3S)-1-(3-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate
CAS Name: (3S)-1-(3-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]methyl ester
IUPAC NAME: [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl (3S)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: [3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (3S)-1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C26H22FN3O5
MOLECULAR WEIGHT: 475.468383
SMILES: CC1=C(C=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)F
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Product OPENEYE NAME: [3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]methyl (3R)-1-(3-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate
CAS Name: (3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]methyl ester
IUPAC NAME: [3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]methyl (3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: [3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]methyl (3R)-1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C26H22FN3O5
MOLECULAR WEIGHT: 475.468383
SMILES: CC1=C(C=C(C=C1)N2C[C@@H](CC2=O)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5)F
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl (3S)-1-(3-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate
CAS Name: (3S)-1-(3-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (3S)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (3S)-1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C23H21FN4O4S
MOLECULAR WEIGHT: 468.500643
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)[C@H]3CC(=O)N(C3)C4=CC(=C(C=C4)C)F
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Product OPENEYE NAME: [5-(p-tolylcarbamoyl)-1,3,4-thiadiazol-2-yl]methyl (3R)-1-(3-fluoro-4-methyl-phenyl)-5-oxo-pyrrolidine-3-carboxylate
CAS Name: (3R)-1-(3-fluoro-4-methylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [5-[(4-methylanilino)-oxomethyl]-1,3,4-thiadiazol-2-yl]methyl ester
IUPAC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
SYSTEMATIC NAME: [5-[(4-methylphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl (3R)-1-(3-fluoranyl-4-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C23H21FN4O4S
MOLECULAR WEIGHT: 468.500643
SMILES: CC1=CC=C(C=C1)NC(=O)C2=NN=C(S2)COC(=O)[C@@H]3CC(=O)N(C3)C4=CC(=C(C=C4)C)F
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Product OPENEYE NAME: 1-(4-fluorophenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butan-1-one
CAS Name: 1-(4-fluorophenyl)-4-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]-1-butanone
IUPAC NAME: 1-(4-fluorophenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutan-1-one
SYSTEMATIC NAME: 1-(4-fluorophenyl)-4-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-butan-1-one
MOLECULAR FORMULA: C15H12F4N2OS
MOLECULAR WEIGHT: 344.327193
SMILES: C1=CC(=CC=C1C(=O)CCCSC2=NC=CC(=N2)C(F)(F)F)F
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Product OPENEYE NAME: N-cyclopentyl-N-methyl-2-methylsulfanyl-acetamide
CAS Name: N-cyclopentyl-N-methyl-2-(methylthio)acetamide
IUPAC NAME: N-cyclopentyl-N-methyl-2-methylsulfanylacetamide
SYSTEMATIC NAME: N-cyclopentyl-N-methyl-2-methylsulfanyl-ethanamide
MOLECULAR FORMULA: C9H17NOS
MOLECULAR WEIGHT: 187.30238
SMILES: CN(C1CCCC1)C(=O)CSC
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Product OPENEYE NAME: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate
CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[1-oxo-2-[[4-(trifluoromethyl)-2-pyrimidinyl]thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]thiophene-3-carboxylate
MOLECULAR FORMULA: C18H19F3N4O4S2
MOLECULAR WEIGHT: 476.49307
SMILES: CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)CSC2=NC=CC(=N2)C(F)(F)F
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