Monday, December 26, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 2-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzonitrile
CAS Name: 2-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzonitrile
IUPAC NAME: 2-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzonitrile
SYSTEMATIC NAME: 2-[[2-(1H-imidazol-5-yl)phenoxy]methyl]benzenecarbonitrile
MOLECULAR FORMULA: C17H13N3O
MOLECULAR WEIGHT: 275.30462
SMILES: C1=CC=C(C(=C1)COC2=CC=CC=C2C3=CN=CN3)C#N
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Product OPENEYE NAME: 1-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1-piperidyl]ethanone
CAS Name: 1-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1-piperidinyl]ethanone
IUPAC NAME: 1-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]piperidin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]piperidin-1-yl]ethanone
MOLECULAR FORMULA: C17H21N3O2
MOLECULAR WEIGHT: 299.36754
SMILES: CC(=O)N1CCC(CC1)COC2=CC=CC=C2C3=CN=CN3
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Product OPENEYE NAME: 1-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-3-[5-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-8-quinolyl]urea
CAS Name: 1-[5-tert-butyl-2-(4-methylphenyl)-3-pyrazolyl]-3-[5-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-8-quinolinyl]urea
IUPAC NAME: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[5-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]quinolin-8-yl]urea
SYSTEMATIC NAME: 1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[5-[(2-methyl-3-oxidanylidene-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]quinolin-8-yl]urea
MOLECULAR FORMULA: C32H30N8O3
MOLECULAR WEIGHT: 574.6324
SMILES: CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=C4C(=C(C=C3)OC5=C6C(=NC=C5)NC(=O)C(=N6)C)C=CC=N4
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Product OPENEYE NAME: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[5-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-8-quinolyl]urea
CAS Name: 1-(5-tert-butyl-2-phenyl-3-pyrazolyl)-3-[5-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-8-quinolinyl]urea
IUPAC NAME: 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[5-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]quinolin-8-yl]urea
SYSTEMATIC NAME: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[5-[(3-oxidanylidene-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]quinolin-8-yl]urea
MOLECULAR FORMULA: C30H26N8O3
MOLECULAR WEIGHT: 546.57924
SMILES: CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C3C(=C(C=C2)OC4=C5C(=NC=C4)NC(=O)C=N5)C=CC=N3)C6=CC=CC=C6
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Product OPENEYE NAME: 1-(2-allyl-5-tert-butyl-pyrazol-3-yl)-3-[5-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-8-quinolyl]urea
CAS Name: 1-(5-tert-butyl-2-prop-2-enyl-3-pyrazolyl)-3-[5-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-8-quinolinyl]urea
IUPAC NAME: 1-(5-tert-butyl-2-prop-2-enylpyrazol-3-yl)-3-[5-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]quinolin-8-yl]urea
SYSTEMATIC NAME: 1-(5-tert-butyl-2-prop-2-enyl-pyrazol-3-yl)-3-[5-[(2-methyl-3-oxidanylidene-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]quinolin-8-yl]urea
MOLECULAR FORMULA: C28H28N8O3
MOLECULAR WEIGHT: 524.57372
SMILES: CC1=NC2=C(C=CN=C2NC1=O)OC3=C4C=CC=NC4=C(C=C3)NC(=O)NC5=CC(=NN5CC=C)C(C)(C)C
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Product OPENEYE NAME: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[5-[(2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]-8-quinolyl]urea
CAS Name: 1-(5-tert-butyl-2-phenyl-3-pyrazolyl)-3-[5-[(2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]-8-quinolinyl]urea
IUPAC NAME: 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[5-[(2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]quinolin-8-yl]urea
SYSTEMATIC NAME: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[5-[(2-oxidanylidene-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]quinolin-8-yl]urea
MOLECULAR FORMULA: C30H26N8O3
MOLECULAR WEIGHT: 546.57924
SMILES: CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C3C(=C(C=C2)OC4=C5C(=NC=C4)N=CC(=O)N5)C=CC=N3)C6=CC=CC=C6
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Product OPENEYE NAME: 1-(5-tert-butyl-2-prop-2-ynyl-pyrazol-3-yl)-3-[5-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-8-quinolyl]urea
CAS Name: 1-(5-tert-butyl-2-prop-2-ynyl-3-pyrazolyl)-3-[5-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-8-quinolinyl]urea
IUPAC NAME: 1-(5-tert-butyl-2-prop-2-ynylpyrazol-3-yl)-3-[5-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]quinolin-8-yl]urea
SYSTEMATIC NAME: 1-(5-tert-butyl-2-prop-2-ynyl-pyrazol-3-yl)-3-[5-[(2-methyl-3-oxidanylidene-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]quinolin-8-yl]urea
MOLECULAR FORMULA: C28H26N8O3
MOLECULAR WEIGHT: 522.55784
SMILES: CC1=NC2=C(C=CN=C2NC1=O)OC3=C4C=CC=NC4=C(C=C3)NC(=O)NC5=CC(=NN5CC#C)C(C)(C)C
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Product OPENEYE NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxy-phenyl]vinyl]-3-methyl-6-[4-(trifluoromethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-3-methyl-6-[4-(trifluoromethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-3-methyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxy-phenyl]ethenyl]-3-methyl-6-[4-(trifluoromethyloxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C27H23F3N2O4S
MOLECULAR WEIGHT: 528.54273
SMILES: CC1=CSC2=NC(=C(C(=O)N12)C3=CC=C(C=C3)OC(F)(F)F)/C=C/C4=C(C(=CC=C4)OC)OCC5CC5
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Product OPENEYE NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxy-phenyl]vinyl]-2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxyphenyl]ethenyl]-2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-methoxy-phenyl]ethenyl]-2,3-dimethyl-6-[4-(trifluoromethyloxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C28H25F3N2O4S
MOLECULAR WEIGHT: 542.56931
SMILES: CC1=C(SC2=NC(=C(C(=O)N12)C3=CC=C(C=C3)OC(F)(F)F)/C=C/C4=C(C(=CC=C4)OC)OCC5CC5)C
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Product OPENEYE NAME: 2-chloro-7-[(E)-2-[2-(2,2-dimethylpropoxy)-3-methoxy-phenyl]vinyl]-6-[4-(trifluoromethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 2-chloro-7-[(E)-2-[2-(2,2-dimethylpropoxy)-3-methoxyphenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 2-chloro-7-[(E)-2-[2-(2,2-dimethylpropoxy)-3-methoxyphenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 2-chloranyl-7-[(E)-2-[2-(2,2-dimethylpropoxy)-3-methoxy-phenyl]ethenyl]-6-[4-(trifluoromethyloxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C27H24ClF3N2O4S
MOLECULAR WEIGHT: 565.00367
SMILES: CC(C)(C)COC1=C(C=CC=C1OC)/C=C/C2=C(C(=O)N3C=C(SC3=N2)Cl)C4=CC=C(C=C4)OC(F)(F)F
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Product OPENEYE NAME: 2-chloro-6-[4-(dimethylamino)phenyl]-7-[(E)-2-[2-(2,2-dimethylpropoxy)-3-methoxy-phenyl]vinyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 2-chloro-6-[4-(dimethylamino)phenyl]-7-[(E)-2-[2-(2,2-dimethylpropoxy)-3-methoxyphenyl]ethenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 2-chloro-6-[4-(dimethylamino)phenyl]-7-[(E)-2-[2-(2,2-dimethylpropoxy)-3-methoxyphenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 2-chloranyl-6-[4-(dimethylamino)phenyl]-7-[(E)-2-[2-(2,2-dimethylpropoxy)-3-methoxy-phenyl]ethenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C28H30ClN3O3S
MOLECULAR WEIGHT: 524.0741
SMILES: CC(C)(C)COC1=C(C=CC=C1OC)/C=C/C2=C(C(=O)N3C=C(SC3=N2)Cl)C4=CC=C(C=C4)N(C)C
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Product OPENEYE NAME: 4-[2-chloro-7-[(E)-2-[2-(2,2-dimethylpropoxy)-3-methoxy-phenyl]vinyl]-5-oxo-thiazolo[3,2-a]pyrimidin-6-yl]benzonitrile
CAS Name: 4-[2-chloro-7-[(E)-2-[2-(2,2-dimethylpropoxy)-3-methoxyphenyl]ethenyl]-5-oxo-6-thiazolo[3,2-a]pyrimidinyl]benzonitrile
IUPAC NAME: 4-[2-chloro-7-[(E)-2-[2-(2,2-dimethylpropoxy)-3-methoxyphenyl]ethenyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]benzonitrile
SYSTEMATIC NAME: 4-[2-chloranyl-7-[(E)-2-[2-(2,2-dimethylpropoxy)-3-methoxy-phenyl]ethenyl]-5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-6-yl]benzenecarbonitrile
MOLECULAR FORMULA: C27H24ClN3O3S
MOLECULAR WEIGHT: 506.01576
SMILES: CC(C)(C)COC1=C(C=CC=C1OC)/C=C/C2=C(C(=O)N3C=C(SC3=N2)Cl)C4=CC=C(C=C4)C#N
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Product OPENEYE NAME: N4-cyclobutyl-N2-(1H-indazol-6-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CAS Name: N4-cyclobutyl-N2-(1H-indazol-6-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
IUPAC NAME: 4-N-cyclobutyl-2-N-(1H-indazol-6-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SYSTEMATIC NAME: N4-cyclobutyl-N2-(1H-indazol-6-yl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C18H19N7
MOLECULAR WEIGHT: 333.39036
SMILES: CC1=CC2=C(N1)N=C(N=C2NC3CCC3)NC4=CC5=C(C=C4)C=NN5
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Product OPENEYE NAME: N4-(3-amino-2,2-dimethyl-propyl)-N2-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CAS Name: N4-(3-amino-2,2-dimethylpropyl)-N2-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
IUPAC NAME: 4-N-(3-amino-2,2-dimethylpropyl)-2-N-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SYSTEMATIC NAME: N4-(3-azanyl-2,2-dimethyl-propyl)-N2-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C18H22N8
MOLECULAR WEIGHT: 350.42088
SMILES: CC(C)(CN)CNC1=NC(=NC2=C1C=CN2)NC3=CC4=C(C=C3)C=NN4
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Product OPENEYE NAME: N2-(1H-indazol-6-yl)-N4-(3-morpholinopropyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CAS Name: N2-(1H-indazol-6-yl)-N4-[3-(4-morpholinyl)propyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
IUPAC NAME: 2-N-(1H-indazol-6-yl)-4-N-(3-morpholin-4-ylpropyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SYSTEMATIC NAME: N2-(1H-indazol-6-yl)-N4-(3-morpholin-4-ylpropyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C20H24N8O
MOLECULAR WEIGHT: 392.45756
SMILES: C1COCCN1CCCNC2=NC(=NC3=C2C=CN3)NC4=CC5=C(C=C4)C=NN5
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Product OPENEYE NAME: N2-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CAS Name: N2-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
IUPAC NAME: 2-N-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SYSTEMATIC NAME: N2-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C13H11N7
MOLECULAR WEIGHT: 265.27334
SMILES: C1=CC2=C(C=C1NC3=NC4=C(C=CN4)C(=N3)N)NN=C2
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