Sunday, February 24, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2S)-N-(3-acetylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2S)-N-(3-acetylphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2S)-N-(3-acetylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2S)-N-(3-ethanoylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C22H21N3O2S
MOLECULAR WEIGHT: 391.48604
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H](C)C(=O)NC3=CC=CC(=C3)C(=O)C
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Product OPENEYE NAME: [(1R)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C15H15ClN2O4
MOLECULAR WEIGHT: 322.7436
SMILES: C[C@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C18H20N2O6
MOLECULAR WEIGHT: 360.3612
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NC(=O)NCC(C)C
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Product OPENEYE NAME: (2R)-N-(3-acetylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
CAS Name: (2R)-N-(3-acetylphenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]propanamide
IUPAC NAME: (2R)-N-(3-acetylphenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanamide
SYSTEMATIC NAME: (2R)-N-(3-ethanoylphenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-propanamide
MOLECULAR FORMULA: C22H21N3O2S
MOLECULAR WEIGHT: 391.48604
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H](C)C(=O)NC3=CC=CC(=C3)C(=O)C
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Product OPENEYE NAME: benzhydryl-[2-[[(1S)-1-benzyl-2-oxo-propyl]amino]-2-oxo-ethyl]-methyl-ammonium
CAS Name: (diphenylmethyl)-methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]ammonium
IUPAC NAME: benzhydryl-methyl-[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
SYSTEMATIC NAME: (diphenylmethyl)-methyl-[2-oxidanylidene-2-[[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]amino]ethyl]azanium
MOLECULAR FORMULA: C26H29N2O2+
MOLECULAR WEIGHT: 401.52066
SMILES: CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-[(1S)-1-benzyl-2-oxo-propyl]acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]ethanamide
MOLECULAR FORMULA: C26H28N2O2
MOLECULAR WEIGHT: 400.51272
SMILES: CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: [(1S)-2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2S)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C18H22N2O5
MOLECULAR WEIGHT: 346.37768
SMILES: C[C@@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC(=O)[C@@H]3CCCO3
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Product OPENEYE NAME: [2-oxo-2-(propylcarbamoylamino)ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester
IUPAC NAME: [2-oxo-2-(propylcarbamoylamino)ethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C17H18N2O6
MOLECULAR WEIGHT: 346.33462
SMILES: CCCNC(=O)NC(=O)COC(=O)C1=CC(=O)C2=C(O1)C=CC(=C2)C
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Product OPENEYE NAME: 1-(3-chloro-4-methyl-phenyl)-3-[[(2S)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiourea
CAS Name: 1-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-3-[[(2S)-2-oxolanyl]methyl]thiourea
IUPAC NAME: 1-(3-chloro-4-methylphenyl)-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea
SYSTEMATIC NAME: 1-(3-chloranyl-4-methyl-phenyl)-3-[[(2S)-oxolan-2-yl]methylcarbamothioylamino]thiourea
MOLECULAR FORMULA: C14H19ClN4OS2
MOLECULAR WEIGHT: 358.90986
SMILES: CC1=C(C=C(C=C1)NC(=S)NNC(=S)NC[C@@H]2CCCO2)Cl
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Product OPENEYE NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-(3-sulfamoylphenyl)acetamide
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)acetamide
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-(3-sulfamoylphenyl)ethanamide
MOLECULAR FORMULA: C19H18N4O3S2
MOLECULAR WEIGHT: 414.50122
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N
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Product OPENEYE NAME: [(1R)-2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2R)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C18H22N2O5
MOLECULAR WEIGHT: 346.37768
SMILES: C[C@H](C(=O)N1C2=CC=CC=C2NC(=O)C1(C)C)OC(=O)[C@@H]3CCCO3
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Product OPENEYE NAME: benzhydryl-[2-[4-(diethylcarbamoyl)anilino]-2-oxo-ethyl]-methyl-ammonium
CAS Name: [2-[4-[diethylamino(oxo)methyl]anilino]-2-oxoethyl]-(diphenylmethyl)-methylammonium
IUPAC NAME: benzhydryl-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: [2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium
MOLECULAR FORMULA: C27H32N3O2+
MOLECULAR WEIGHT: 430.56188
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)C[NH+](C)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 4-[[2-[benzhydryl(methyl)amino]acetyl]amino]-N,N-diethyl-benzamide
CAS Name: 4-[[2-[(diphenylmethyl)-methylamino]-1-oxoethyl]amino]-N,N-diethylbenzamide
IUPAC NAME: 4-[[2-[benzhydryl(methyl)amino]acetyl]amino]-N,N-diethylbenzamide
SYSTEMATIC NAME: 4-[2-[(diphenylmethyl)-methyl-amino]ethanoylamino]-N,N-diethyl-benzamide
MOLECULAR FORMULA: C27H31N3O2
MOLECULAR WEIGHT: 429.55394
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CN(C)C(C2=CC=CC=C2)C3=CC=CC=C3
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