Saturday, February 23, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC3=C(C=C2)OCCO3
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Product OPENEYE NAME: 1-ethyl-3-(p-tolylmethyl)thiourea
CAS Name: 1-ethyl-3-[(4-methylphenyl)methyl]thiourea
IUPAC NAME: 1-ethyl-3-[(4-methylphenyl)methyl]thiourea
SYSTEMATIC NAME: 1-ethyl-3-[(4-methylphenyl)methyl]thiourea
MOLECULAR FORMULA: C11H16N2S
MOLECULAR WEIGHT: 208.32314
SMILES: CCNC(=S)NCC1=CC=C(C=C1)C
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Product OPENEYE NAME: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester
IUPAC NAME: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-(tert-butylcarbamoylamino)-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)NC(C)(C)C
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Product OPENEYE NAME: [(1R)-2-(2,4-difluoroanilino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[[2,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H15F2NO4
MOLECULAR WEIGHT: 299.270006
SMILES: C[C@H](C(=O)NC1=C(C=C(C=C1)F)F)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: (3R)-3-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyltetrahydrofuran-2-one
CAS Name: (3R)-3-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-2-oxolanone
IUPAC NAME: (3R)-3-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyloxolan-2-one
SYSTEMATIC NAME: (3R)-3-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyloxolan-2-one
MOLECULAR FORMULA: C15H14N2O2S
MOLECULAR WEIGHT: 286.34886
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@@H]3CCOC3=O
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Product OPENEYE NAME: 1-(2-phenylethyl)-3-(p-tolylmethyl)thiourea
CAS Name: 1-[(4-methylphenyl)methyl]-3-(2-phenylethyl)thiourea
IUPAC NAME: 1-[(4-methylphenyl)methyl]-3-(2-phenylethyl)thiourea
SYSTEMATIC NAME: 1-[(4-methylphenyl)methyl]-3-(2-phenylethyl)thiourea
MOLECULAR FORMULA: C17H20N2S
MOLECULAR WEIGHT: 284.4191
SMILES: CC1=CC=C(C=C1)CNC(=S)NCCC2=CC=CC=C2
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Product OPENEYE NAME: [(1S)-2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[[2,5-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(=C1)F)F)OC(=O)[C@@H]2CCCO2
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Product OPENEYE NAME: (3S)-3-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyltetrahydrofuran-2-one
CAS Name: (3S)-3-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-2-oxolanone
IUPAC NAME: (3S)-3-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyloxolan-2-one
SYSTEMATIC NAME: (3S)-3-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyloxolan-2-one
MOLECULAR FORMULA: C15H14N2O2S
MOLECULAR WEIGHT: 286.34886
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)S[C@H]3CCOC3=O
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Product OPENEYE NAME: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester
IUPAC NAME: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C18H12N2O5S
MOLECULAR WEIGHT: 368.36328
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC3=CC(=O)N4C=CSC4=N3
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Product OPENEYE NAME: [(1R)-2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[[2,5-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(=C1)F)F)OC(=O)[C@@H]2CCCO2
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Product OPENEYE NAME: [2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-(4-chloro-2-methylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C19H23ClN3O2+
MOLECULAR WEIGHT: 360.85782
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NC2=C(C=C(C=C2)Cl)C
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Product OPENEYE NAME: 2-[[2-(4-chloro-2-methyl-anilino)-2-oxo-ethyl]-methyl-amino]-N-(p-tolyl)acetamide
CAS Name: 2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[[2-(4-chloro-2-methylanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[[2-[(4-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C19H22ClN3O2
MOLECULAR WEIGHT: 359.84988
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=C(C=C(C=C2)Cl)C
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Product OPENEYE NAME: [2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] ester
IUPAC NAME: [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C21H19NO6
MOLECULAR WEIGHT: 381.37866
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)NCC3=CC(=CC=C3)OC
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Product OPENEYE NAME: N-isopropyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-phenyl-acetamide
CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-phenyl-N-propan-2-ylacetamide
IUPAC NAME: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-phenyl-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-phenyl-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C22H23N3OS
MOLECULAR WEIGHT: 377.50252
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C3=CC=CC=C3)C(C)C
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Product OPENEYE NAME: [(1S)-2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H15F2NO4
MOLECULAR WEIGHT: 299.270006
SMILES: C[C@@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: 1-(2-methoxyethyl)-3-(p-tolylmethyl)thiourea
CAS Name: 1-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]thiourea
IUPAC NAME: 1-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]thiourea
SYSTEMATIC NAME: 1-(2-methoxyethyl)-3-[(4-methylphenyl)methyl]thiourea
MOLECULAR FORMULA: C12H18N2OS
MOLECULAR WEIGHT: 238.34912
SMILES: CC1=CC=C(C=C1)CNC(=S)NCCOC
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Product OPENEYE NAME: methyl 1-[2-(6-methyl-4-oxo-chromene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CAS Name: 1-[2-[(6-methyl-4-oxo-1-benzopyran-2-yl)-oxomethoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester
IUPAC NAME: methyl 1-[2-(6-methyl-4-oxochromene-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
SYSTEMATIC NAME: methyl 1-[2-(6-methyl-4-oxidanylidene-chromen-2-yl)carbonyloxyethanoyl]piperidine-4-carboxylate
MOLECULAR FORMULA: C20H21NO7
MOLECULAR WEIGHT: 387.38324
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)N3CCC(CC3)C(=O)OC
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Product OPENEYE NAME: methyl-[2-(4-methylanilino)-2-oxo-ethyl]-[2-oxo-2-(4-phenylanilino)ethyl]ammonium
CAS Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]ammonium
IUPAC NAME: methyl-[2-(4-methylanilino)-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium
SYSTEMATIC NAME: methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-[2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl]azanium
MOLECULAR FORMULA: C24H26N3O2+
MOLECULAR WEIGHT: 388.48214
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 2-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]-N-(p-tolyl)acetamide
CAS Name: 2-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[methyl-[2-oxo-2-(4-phenylanilino)ethyl]amino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[methyl-[2-oxidanylidene-2-[(4-phenylphenyl)amino]ethyl]amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C24H25N3O2
MOLECULAR WEIGHT: 387.4742
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC(=O)NC2=CC=C(C=C2)C3=CC=CC=C3
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Product OPENEYE NAME: 1-isopropyl-3-(p-tolylmethyl)thiourea
CAS Name: 1-[(4-methylphenyl)methyl]-3-propan-2-ylthiourea
IUPAC NAME: 1-[(4-methylphenyl)methyl]-3-propan-2-ylthiourea
SYSTEMATIC NAME: 1-[(4-methylphenyl)methyl]-3-propan-2-yl-thiourea
MOLECULAR FORMULA: C12H18N2S
MOLECULAR WEIGHT: 222.34972
SMILES: CC1=CC=C(C=C1)CNC(=S)NC(C)C
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Product OPENEYE NAME: [(1R)-2-(2,5-difluoroanilino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[[2,5-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] (2R)-oxolane-2-carboxylate
MOLECULAR FORMULA: C14H15F2NO4
MOLECULAR WEIGHT: 299.270006
SMILES: C[C@H](C(=O)NC1=C(C=CC(=C1)F)F)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-phenyl-acetamide
CAS Name: N-methyl-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-phenylacetamide
IUPAC NAME: N-methyl-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-phenylacetamide
SYSTEMATIC NAME: N-methyl-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-phenyl-ethanamide
MOLECULAR FORMULA: C20H19N3OS
MOLECULAR WEIGHT: 349.44936
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N(C)C3=CC=CC=C3
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Product OPENEYE NAME: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
IUPAC NAME: [2-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[1-(2-methoxyethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C22H23NO6
MOLECULAR WEIGHT: 397.42112
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)OCC(=O)C3=C(N(C(=C3)C)CCOC)C
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Product OPENEYE NAME: [2-(2,5-difluoroanilino)-2-oxo-ethyl]-methyl-[2-(4-methylanilino)-2-oxo-ethyl]ammonium
CAS Name: [2-(2,5-difluoroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]ammonium
IUPAC NAME: [2-(2,5-difluoroanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
SYSTEMATIC NAME: [2-[[2,5-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]azanium
MOLECULAR FORMULA: C18H20F2N3O2+
MOLECULAR WEIGHT: 348.367106
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC(=O)NC2=C(C=CC(=C2)F)F
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