Wednesday, May 8, 2013

All Chemical Compounds Information




Product OPENEYE NAME: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-methyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzamide
CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-N-methyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzamide
IUPAC NAME: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzamide
SYSTEMATIC NAME: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-methyl-N-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzamide
MOLECULAR FORMULA: C21H20N4O3S2
MOLECULAR WEIGHT: 440.5385
SMILES: CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N(C)CC3=NC(=O)C4=C(N3)C=CS4
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Product OPENEYE NAME: (5-methyl-2-phenyl-oxazol-4-yl)methyl 3-(tert-butoxycarbonylamino)propanoate
CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester
IUPAC NAME: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SYSTEMATIC NAME: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
MOLECULAR FORMULA: C19H24N2O5
MOLECULAR WEIGHT: 360.40426
SMILES: CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)CCNC(=O)OC(C)(C)C
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Product OPENEYE NAME: (1R)-2,2-dichloro-N,1-dimethyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]cyclopropanecarboxamide
CAS Name: (1R)-2,2-dichloro-N,1-dimethyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-cyclopropanecarboxamide
IUPAC NAME: (1R)-2,2-dichloro-N,1-dimethyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
SYSTEMATIC NAME: (1R)-2,2-bis(chloranyl)-N,1-dimethyl-N-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
MOLECULAR FORMULA: C13H13Cl2N3O2S
MOLECULAR WEIGHT: 346.23222
SMILES: C[C@@]1(CC1(Cl)Cl)C(=O)N(C)CC2=NC(=O)C3=C(N2)C=CS3
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Product OPENEYE NAME: (1S)-2,2-dichloro-N,1-dimethyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]cyclopropanecarboxamide
CAS Name: (1S)-2,2-dichloro-N,1-dimethyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-1-cyclopropanecarboxamide
IUPAC NAME: (1S)-2,2-dichloro-N,1-dimethyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
SYSTEMATIC NAME: (1S)-2,2-bis(chloranyl)-N,1-dimethyl-N-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]cyclopropane-1-carboxamide
MOLECULAR FORMULA: C13H13Cl2N3O2S
MOLECULAR WEIGHT: 346.23222
SMILES: C[C@]1(CC1(Cl)Cl)C(=O)N(C)CC2=NC(=O)C3=C(N2)C=CS3
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Product OPENEYE NAME: 6-chloro-3-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]-1,3-benzoxazol-2-one
CAS Name: 6-chloro-3-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-1,3-benzoxazol-2-one
IUPAC NAME: 6-chloro-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 6-chloranyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C16H11ClN2O3S
MOLECULAR WEIGHT: 346.78814
SMILES: CC1=C(N=C(O1)C2=CC=CS2)CN3C4=C(C=C(C=C4)Cl)OC3=O
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Product OPENEYE NAME: N,1,3-trimethyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide
CAS Name: N,1,3-trimethyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxamide
IUPAC NAME: N,1,3-trimethyl-N-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
SYSTEMATIC NAME: N,1,3-trimethyl-N-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide
MOLECULAR FORMULA: C23H20N6O2S
MOLECULAR WEIGHT: 444.5089
SMILES: CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)N(C)CC4=NC(=O)C5=C(N4)C=CS5)C
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Product OPENEYE NAME: methyl 4-chloro-3-[3-(2-thienyl)propanoylamino]benzoate
CAS Name: 4-chloro-3-[(1-oxo-3-thiophen-2-ylpropyl)amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-chloro-3-(3-thiophen-2-ylpropanoylamino)benzoate
SYSTEMATIC NAME: methyl 4-chloranyl-3-(3-thiophen-2-ylpropanoylamino)benzoate
MOLECULAR FORMULA: C15H14ClNO3S
MOLECULAR WEIGHT: 323.79456
SMILES: COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CCC2=CC=CS2
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Product OPENEYE NAME: (2R)-1-[2-(isopropylamino)pyridin-1-ium-1-yl]-2-(6-methoxy-2-naphthyl)propan-1-one
CAS Name: (2R)-2-(6-methoxy-2-naphthalenyl)-1-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]-1-propanone
IUPAC NAME: (2R)-2-(6-methoxynaphthalen-2-yl)-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propan-1-one
SYSTEMATIC NAME: (2R)-2-(6-methoxynaphthalen-2-yl)-1-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]propan-1-one
MOLECULAR FORMULA: C22H25N2O2+
MOLECULAR WEIGHT: 349.4461
SMILES: C[C@H](C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)[N+]3=CC=CC=C3NC(C)C
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Product OPENEYE NAME: methyl 4-chloro-3-[(1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoate
CAS Name: 4-chloro-3-[[oxo-(6-phenyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinyl)methyl]amino]benzoic acid methyl ester
IUPAC NAME: methyl 4-chloro-3-[(6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoate
SYSTEMATIC NAME: methyl 4-chloranyl-3-[(6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridin-4-yl)carbonylamino]benzoate
MOLECULAR FORMULA: C24H21ClN4O3
MOLECULAR WEIGHT: 448.90154
SMILES: CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C(=O)OC)Cl
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Product OPENEYE NAME: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CAS Name: (3R)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester
IUPAC NAME: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl (3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
SYSTEMATIC NAME: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
MOLECULAR FORMULA: C25H26N4O5S
MOLECULAR WEIGHT: 494.56274
SMILES: CC1=NN(C(=C1C#N)COC(=O)[C@@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4
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Product OPENEYE NAME: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CAS Name: (3S)-1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester
IUPAC NAME: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
SYSTEMATIC NAME: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
MOLECULAR FORMULA: C25H26N4O5S
MOLECULAR WEIGHT: 494.56274
SMILES: CC1=NN(C(=C1C#N)COC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4
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Product OPENEYE NAME: 4-ethoxy-N-[(1S)-2-methyl-1-[[4-[(2-morpholinoacetyl)amino]phenyl]carbamoyl]propyl]benzamide
CAS Name: 4-ethoxy-N-[(2S)-3-methyl-1-[4-[[2-(4-morpholinyl)-1-oxoethyl]amino]anilino]-1-oxobutan-2-yl]benzamide
IUPAC NAME: 4-ethoxy-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide
SYSTEMATIC NAME: 4-ethoxy-N-[(2S)-3-methyl-1-[[4-(2-morpholin-4-ylethanoylamino)phenyl]amino]-1-oxidanylidene-butan-2-yl]benzamide
MOLECULAR FORMULA: C26H34N4O5
MOLECULAR WEIGHT: 482.57196
SMILES: CCOC1=CC=C(C=C1)C(=O)N[C@@H](C(C)C)C(=O)NC2=CC=C(C=C2)NC(=O)CN3CCOCC3
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