Saturday, February 23, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 1-allyl-3-[[(3R)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]thiourea
CAS Name: 1-[[[(3R)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]-3-prop-2-enylthiourea
IUPAC NAME: 1-[[(3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C17H24N4O3S2
MOLECULAR WEIGHT: 396.52746
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NNC(=S)NCC=C
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Product OPENEYE NAME: [(1R)-2-(3,4-difluoroanilino)-1-methyl-2-oxo-ethyl] (2S)-tetrahydrofuran-2-carboxylate
CAS Name: (2S)-2-oxolanecarboxylic acid [(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2R)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2R)-1-[[3,4-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=CC(=C(C=C1)F)F)OC(=O)[C@@H]2CCCO2
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Product OPENEYE NAME: (2-ethoxycarbonylbenzofuran-3-yl)methyl 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid (2-ethoxycarbonyl-3-benzofuranyl)methyl ester
IUPAC NAME: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C23H18O7
MOLECULAR WEIGHT: 406.38482
SMILES: CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=CC(=O)C4=C(O3)C=CC(=C4)C
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Product OPENEYE NAME: methyl-[2-(4-methylanilino)-2-oxo-ethyl]-(p-tolylmethyl)ammonium
CAS Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-[(4-methylphenyl)methyl]ammonium
IUPAC NAME: methyl-[2-(4-methylanilino)-2-oxoethyl]-[(4-methylphenyl)methyl]azanium
SYSTEMATIC NAME: methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-[(4-methylphenyl)methyl]azanium
MOLECULAR FORMULA: C18H23N2O+
MOLECULAR WEIGHT: 283.38802
SMILES: CC1=CC=C(C=C1)C[NH+](C)CC(=O)NC2=CC=C(C=C2)C
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Product OPENEYE NAME: 2-[methyl(p-tolylmethyl)amino]-N-(p-tolyl)acetamide
CAS Name: 2-[methyl-[(4-methylphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[methyl-[(4-methylphenyl)methyl]amino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[methyl-[(4-methylphenyl)methyl]amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C18H22N2O
MOLECULAR WEIGHT: 282.38008
SMILES: CC1=CC=C(C=C1)CN(C)CC(=O)NC2=CC=C(C=C2)C
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Product OPENEYE NAME: 1-methyl-3-[[(3S)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]thiourea
CAS Name: 1-methyl-3-[[[(3S)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]thiourea
IUPAC NAME: 1-methyl-3-[[(3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]thiourea
MOLECULAR FORMULA: C15H22N4O3S2
MOLECULAR WEIGHT: 370.49018
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@@H](C2)C(=O)NNC(=S)NC
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Product OPENEYE NAME: [(1S)-2-(3,4-difluoroanilino)-1-methyl-2-oxo-ethyl] (2R)-tetrahydrofuran-2-carboxylate
CAS Name: (2R)-2-oxolanecarboxylic acid [(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] ester
IUPAC NAME: [(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] (2R)-oxolane-2-carboxylate
SYSTEMATIC NAME: [(2S)-1-[[3,4-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=CC(=C(C=C1)F)F)OC(=O)[C@H]2CCCO2
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Product OPENEYE NAME: [2-[(2R)-2-methyl-1-piperidyl]-2-oxo-ethyl] 6-methyl-4-oxo-chromene-2-carboxylate
CAS Name: 6-methyl-4-oxo-1-benzopyran-2-carboxylic acid [2-[(2R)-2-methyl-1-piperidinyl]-2-oxoethyl] ester
IUPAC NAME: [2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 6-methyl-4-oxochromene-2-carboxylate
SYSTEMATIC NAME: [2-[(2R)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 6-methyl-4-oxidanylidene-chromene-2-carboxylate
MOLECULAR FORMULA: C19H21NO5
MOLECULAR WEIGHT: 343.37374
SMILES: C[C@@H]1CCCCN1C(=O)COC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)C
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Product OPENEYE NAME: (2R)-4-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile
CAS Name: (2R)-4-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile
IUPAC NAME: (2R)-4-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile
SYSTEMATIC NAME: (2R)-4-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile
MOLECULAR FORMULA: C19H16N4OS2
MOLECULAR WEIGHT: 380.48654
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)[C@@H](C#N)C3=NC(=CS3)C
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Product OPENEYE NAME: 1-methyl-3-[[(3R)-1-(p-tolylsulfonyl)piperidine-3-carbonyl]amino]thiourea
CAS Name: 1-methyl-3-[[[(3R)-1-(4-methylphenyl)sulfonyl-3-piperidinyl]-oxomethyl]amino]thiourea
IUPAC NAME: 1-methyl-3-[[(3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiourea
SYSTEMATIC NAME: 1-methyl-3-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]carbonylamino]thiourea
MOLECULAR FORMULA: C15H22N4O3S2
MOLECULAR WEIGHT: 370.49018
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H](C2)C(=O)NNC(=S)NC
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Product OPENEYE NAME: methyl-[2-(4-methylanilino)-2-oxo-ethyl]-(1-naphthylmethyl)ammonium
CAS Name: methyl-[2-(4-methylanilino)-2-oxoethyl]-(1-naphthalenylmethyl)ammonium
IUPAC NAME: methyl-[2-(4-methylanilino)-2-oxoethyl]-(naphthalen-1-ylmethyl)azanium
SYSTEMATIC NAME: methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-(naphthalen-1-ylmethyl)azanium
MOLECULAR FORMULA: C21H23N2O+
MOLECULAR WEIGHT: 319.42012
SMILES: CC1=CC=C(C=C1)NC(=O)C[NH+](C)CC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: 2-[methyl(1-naphthylmethyl)amino]-N-(p-tolyl)acetamide
CAS Name: 2-[methyl(1-naphthalenylmethyl)amino]-N-(4-methylphenyl)acetamide
IUPAC NAME: 2-[methyl(naphthalen-1-ylmethyl)amino]-N-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-[methyl(naphthalen-1-ylmethyl)amino]-N-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C21H22N2O
MOLECULAR WEIGHT: 318.41218
SMILES: CC1=CC=C(C=C1)NC(=O)CN(C)CC2=CC=CC3=CC=CC=C32
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Product OPENEYE NAME: (2S)-4-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-(4-methylthiazol-2-yl)-3-oxo-butanenitrile
CAS Name: (2S)-4-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-2-(4-methyl-2-thiazolyl)-3-oxobutanenitrile
IUPAC NAME: (2S)-4-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile
SYSTEMATIC NAME: (2S)-4-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxidanylidene-butanenitrile
MOLECULAR FORMULA: C19H16N4OS2
MOLECULAR WEIGHT: 380.48654
SMILES: CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)[C@H](C#N)C3=NC(=CS3)C
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