Monday, February 25, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2R)-2-(4-bromo-2-fluoro-phenoxy)-N-(cyclopentylcarbamoyl)propanamide
CAS Name: (2R)-2-(4-bromo-2-fluorophenoxy)-N-[(cyclopentylamino)-oxomethyl]propanamide
IUPAC NAME: (2R)-2-(4-bromo-2-fluorophenoxy)-N-(cyclopentylcarbamoyl)propanamide
SYSTEMATIC NAME: (2R)-2-(4-bromanyl-2-fluoranyl-phenoxy)-N-(cyclopentylcarbamoyl)propanamide
MOLECULAR FORMULA: C15H18BrFN2O3
MOLECULAR WEIGHT: 373.217423
SMILES: C[C@H](C(=O)NC(=O)NC1CCCC1)OC2=C(C=C(C=C2)Br)F
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Product OPENEYE NAME: benzhydryl-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium
CAS Name: (diphenylmethyl)-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylammonium
IUPAC NAME: benzhydryl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: (diphenylmethyl)-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C23H24N3O4+
MOLECULAR WEIGHT: 406.45436
SMILES: C[NH+](CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-(2-methoxy-4-nitro-phenyl)acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-(2-methoxy-4-nitrophenyl)acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-(2-methoxy-4-nitrophenyl)acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-(2-methoxy-4-nitro-phenyl)ethanamide
MOLECULAR FORMULA: C23H23N3O4
MOLECULAR WEIGHT: 405.44642
SMILES: CN(CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 7-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C18H14N4OS2
MOLECULAR WEIGHT: 366.45996
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC(=O)N4C=CSC4=N3
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Product OPENEYE NAME: benzhydryl-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]-methyl-ammonium
CAS Name: (diphenylmethyl)-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylammonium
IUPAC NAME: benzhydryl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-methylazanium
SYSTEMATIC NAME: (diphenylmethyl)-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-azanium
MOLECULAR FORMULA: C23H24FN2O+
MOLECULAR WEIGHT: 363.447863
SMILES: C[NH+](CC(=O)NCC1=CC=C(C=C1)F)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[benzhydryl(methyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CAS Name: 2-[(diphenylmethyl)-methylamino]-N-[(4-fluorophenyl)methyl]acetamide
IUPAC NAME: 2-[benzhydryl(methyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
SYSTEMATIC NAME: 2-[(diphenylmethyl)-methyl-amino]-N-[(4-fluorophenyl)methyl]ethanamide
MOLECULAR FORMULA: C23H23FN2O
MOLECULAR WEIGHT: 362.439923
SMILES: CN(CC(=O)NCC1=CC=C(C=C1)F)C(C2=CC=CC=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 7-methyl-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CAS Name: 7-methyl-2-[[(4-methyl-6-phenyl-2-pyrimidinyl)thio]methyl]-4-pyrido[1,2-a]pyrimidinone
IUPAC NAME: 7-methyl-2-[(4-methyl-6-phenylpyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
SYSTEMATIC NAME: 7-methyl-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
MOLECULAR FORMULA: C21H18N4OS
MOLECULAR WEIGHT: 374.45882
SMILES: CC1=CN2C(=NC(=CC2=O)CSC3=NC(=CC(=N3)C)C4=CC=CC=C4)C=C1
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Product OPENEYE NAME: ethyl (2Z)-2-[3-[2-(4-acetyl-2-methoxy-phenoxy)ethyl]-4-oxo-thiazolidin-2-ylidene]acetate
CAS Name: (2Z)-2-[3-[2-(4-acetyl-2-methoxyphenoxy)ethyl]-4-oxo-2-thiazolidinylidene]acetic acid ethyl ester
IUPAC NAME: ethyl (2Z)-2-[3-[2-(4-acetyl-2-methoxyphenoxy)ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]acetate
SYSTEMATIC NAME: ethyl (2Z)-2-[3-[2-(4-ethanoyl-2-methoxy-phenoxy)ethyl]-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate
MOLECULAR FORMULA: C18H21NO6S
MOLECULAR WEIGHT: 379.42744
SMILES: CCOC(=O)/C=C\1/N(C(=O)CS1)CCOC2=C(C=C(C=C2)C(=O)C)OC
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Product OPENEYE NAME: [(1S)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [(2S)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H24N2O6
MOLECULAR WEIGHT: 400.42506
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)O[C@@H](C)C(=O)NC(=O)NC3CCCCC3
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Product OPENEYE NAME: N-[(3-methoxyphenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-acetamide
CAS Name: N-[(3-methoxyphenyl)methyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]acetamide
IUPAC NAME: N-[(3-methoxyphenyl)methyl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetamide
SYSTEMATIC NAME: N-[(3-methoxyphenyl)methyl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanamide
MOLECULAR FORMULA: C21H21N3O2S
MOLECULAR WEIGHT: 379.47534
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NCC3=CC(=CC=C3)OC
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Product OPENEYE NAME: 2-(4-acetyl-2-methoxy-phenoxy)-N-(phenylcarbamoyl)acetamide
CAS Name: 2-(4-acetyl-2-methoxyphenoxy)-N-[anilino(oxo)methyl]acetamide
IUPAC NAME: 2-(4-acetyl-2-methoxyphenoxy)-N-(phenylcarbamoyl)acetamide
SYSTEMATIC NAME: 2-(4-ethanoyl-2-methoxy-phenoxy)-N-(phenylcarbamoyl)ethanamide
MOLECULAR FORMULA: C18H18N2O5
MOLECULAR WEIGHT: 342.34592
SMILES: CC(=O)C1=CC(=C(C=C1)OCC(=O)NC(=O)NC2=CC=CC=C2)OC
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