Saturday, February 23, 2013

All Chemical Compounds Information




Product OPENEYE NAME: N-(3-chlorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(3-chlorophenyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(3-chlorophenyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(3-chlorophenyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C19H16ClN3OS
MOLECULAR WEIGHT: 369.86784
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC(=CC=C3)Cl
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Product OPENEYE NAME: [(1R)-2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C15H18ClNO4
MOLECULAR WEIGHT: 311.76072
SMILES: C[C@H](C(=O)NCC1=CC=CC=C1Cl)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: [2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C19H23FN3O2+
MOLECULAR WEIGHT: 344.403223
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NC2=C(C=C(C=C2)C)F
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Product OPENEYE NAME: 2-[[2-(2-fluoro-4-methyl-anilino)-2-oxo-ethyl]-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[(2-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C19H22FN3O2
MOLECULAR WEIGHT: 343.395283
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=C(C=C(C=C2)C)F
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Product OPENEYE NAME: [2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C17H17NO7S
MOLECULAR WEIGHT: 379.38438
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3
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Product OPENEYE NAME: 1-(3-methylsulfanylpropyl)-3-(p-tolylmethyl)thiourea
CAS Name: 1-[(4-methylphenyl)methyl]-3-[3-(methylthio)propyl]thiourea
IUPAC NAME: 1-[(4-methylphenyl)methyl]-3-(3-methylsulfanylpropyl)thiourea
SYSTEMATIC NAME: 1-[(4-methylphenyl)methyl]-3-(3-methylsulfanylpropyl)thiourea
MOLECULAR FORMULA: C13H20N2S2
MOLECULAR WEIGHT: 268.4413
SMILES: CC1=CC=C(C=C1)CNC(=S)NCCCSC
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Product OPENEYE NAME: [(1S)-2-(2,6-difluoroanilino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[[2,6-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] (2S)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H15F2NO4
MOLECULAR WEIGHT: 299.270006
SMILES: C[C@@H](C(=O)NC1=C(C=CC=C1F)F)OC(=O)[C@@H]2CCCO2
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Product OPENEYE NAME: 1-[(1R,2R)-2-methylcyclohexyl]-3-(p-tolylmethyl)thiourea
CAS Name: 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)methyl]thiourea
IUPAC NAME: 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)methyl]thiourea
SYSTEMATIC NAME: 1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)methyl]thiourea
MOLECULAR FORMULA: C16H24N2S
MOLECULAR WEIGHT: 276.44016
SMILES: C[C@@H]1CCCC[C@H]1NC(=S)NCC2=CC=C(C=C2)C
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Product OPENEYE NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H19N3O3S
MOLECULAR WEIGHT: 393.45886
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCC3=CC4=C(C=C3)OCO4
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Product OPENEYE NAME: (4-bromo-2-fluoro-phenyl)methyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid (4-bromo-2-fluorophenyl)methyl ester
IUPAC NAME: (4-bromo-2-fluorophenyl)methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: (4-bromanyl-2-fluoranyl-phenyl)methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C18H12BrFO4
MOLECULAR WEIGHT: 391.187883
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC3=C(C=C(C=C3)Br)F
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