Friday, October 26, 2012

All Chemical Compounds Information




Product OPENEYE NAME: [[amino(phenyl)methylene]amino] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate
CAS Name: 1-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxylic acid [[amino(phenyl)methylidene]amino] ester
IUPAC NAME: [[amino(phenyl)methylidene]amino] 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate
SYSTEMATIC NAME: [[azanyl(phenyl)methylidene]amino] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C16H15N5O2
MOLECULAR WEIGHT: 309.3226
SMILES: CN1C(=C(C=N1)C(=O)ON=C(C2=CC=CC=C2)N)N3C=CC=C3
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Product OPENEYE NAME: N-(1-benzyl-4-piperidyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-amine
CAS Name: 6-phenyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-thieno[3,2-d]pyrimidinamine
IUPAC NAME: N-(1-benzylpiperidin-4-yl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
SYSTEMATIC NAME: 6-phenyl-N-[1-(phenylmethyl)piperidin-4-yl]thieno[3,2-d]pyrimidin-4-amine
MOLECULAR FORMULA: C24H24N4S
MOLECULAR WEIGHT: 400.53916
SMILES: C1CN(CCC1NC2=NC=NC3=C2SC(=C3)C4=CC=CC=C4)CC5=CC=CC=C5
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Product OPENEYE NAME: 1-methyl-5-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CAS Name: 1-methyl-5-(1-pyrrolyl)-N-[4-(trifluoromethoxy)phenyl]-4-pyrazolecarboxamide
IUPAC NAME: 1-methyl-5-pyrrol-1-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
SYSTEMATIC NAME: 1-methyl-5-pyrrol-1-yl-N-[4-(trifluoromethyloxy)phenyl]pyrazole-4-carboxamide
MOLECULAR FORMULA: C16H13F3N4O2
MOLECULAR WEIGHT: 350.29523
SMILES: CN1C(=C(C=N1)C(=O)NC2=CC=C(C=C2)OC(F)(F)F)N3C=CC=C3
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Product OPENEYE NAME: N-(3-methoxyphenyl)-1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide
CAS Name: N-(3-methoxyphenyl)-1-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxamide
IUPAC NAME: N-(3-methoxyphenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-(3-methoxyphenyl)-1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C16H16N4O2
MOLECULAR WEIGHT: 296.32384
SMILES: CN1C(=C(C=N1)C(=O)NC2=CC(=CC=C2)OC)N3C=CC=C3
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Product OPENEYE NAME: [[(2-aminophenyl)-phenyl-methylene]amino] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate
CAS Name: 1-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxylic acid [[(2-aminophenyl)-phenylmethylidene]amino] ester
IUPAC NAME: [[(2-aminophenyl)-phenylmethylidene]amino] 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate
SYSTEMATIC NAME: [[(2-aminophenyl)-phenyl-methylidene]amino] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C22H19N5O2
MOLECULAR WEIGHT: 385.41856
SMILES: CN1C(=C(C=N1)C(=O)ON=C(C2=CC=CC=C2)C3=CC=CC=C3N)N4C=CC=C4
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Product OPENEYE NAME: [(2,4-dichlorophenyl)methyleneamino] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate
CAS Name: 1-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxylic acid [(2,4-dichlorophenyl)methylideneamino] ester
IUPAC NAME: [(2,4-dichlorophenyl)methylideneamino] 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate
SYSTEMATIC NAME: [(2,4-dichlorophenyl)methylideneamino] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C16H12Cl2N4O2
MOLECULAR WEIGHT: 363.19808
SMILES: CN1C(=C(C=N1)C(=O)ON=CC2=C(C=C(C=C2)Cl)Cl)N3C=CC=C3
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Product OPENEYE NAME: [(2-chloro-6-fluoro-phenyl)methyleneamino] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate
CAS Name: 1-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxylic acid [(2-chloro-6-fluorophenyl)methylideneamino] ester
IUPAC NAME: [(2-chloro-6-fluorophenyl)methylideneamino] 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate
SYSTEMATIC NAME: [(2-chloranyl-6-fluoranyl-phenyl)methylideneamino] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C16H12ClFN4O2
MOLECULAR WEIGHT: 346.743483
SMILES: CN1C(=C(C=N1)C(=O)ON=CC2=C(C=CC=C2Cl)F)N3C=CC=C3
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Product OPENEYE NAME: [[4-(trifluoromethoxy)phenyl]methyleneamino] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate
CAS Name: 1-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxylic acid [[4-(trifluoromethoxy)phenyl]methylideneamino] ester
IUPAC NAME: [[4-(trifluoromethoxy)phenyl]methylideneamino] 1-methyl-5-pyrrol-1-ylpyrazole-4-carboxylate
SYSTEMATIC NAME: [[4-(trifluoromethyloxy)phenyl]methylideneamino] 1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C17H13F3N4O3
MOLECULAR WEIGHT: 378.30533
SMILES: CN1C(=C(C=N1)C(=O)ON=CC2=CC=C(C=C2)OC(F)(F)F)N3C=CC=C3
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Product OPENEYE NAME: 3-(2,6-dichlorophenyl)-5-methyl-N-phenyl-isoxazole-4-carboxamide
CAS Name: 3-(2,6-dichlorophenyl)-5-methyl-N-phenyl-4-isoxazolecarboxamide
IUPAC NAME: 3-(2,6-dichlorophenyl)-5-methyl-N-phenyl-1,2-oxazole-4-carboxamide
SYSTEMATIC NAME: 3-[2,6-bis(chloranyl)phenyl]-5-methyl-N-phenyl-1,2-oxazole-4-carboxamide
MOLECULAR FORMULA: C17H12Cl2N2O2
MOLECULAR WEIGHT: 347.19538
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=CC=CC=C3
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Product OPENEYE NAME: N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-chlorophenyl)methanimine
CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-chlorophenyl)methanimine
IUPAC NAME: N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-chlorophenyl)methanimine
SYSTEMATIC NAME: N-[3,5-bis(trifluoromethyl)phenyl]-1-(4-chlorophenyl)methanimine
MOLECULAR FORMULA: C15H8ClF6N
MOLECULAR WEIGHT: 351.674139
SMILES: C1=CC(=CC=C1C=NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl
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Product OPENEYE NAME: N-(1-benzyl-4-piperidyl)-6-tert-butyl-thieno[3,2-d]pyrimidin-4-amine
CAS Name: 6-tert-butyl-N-[1-(phenylmethyl)-4-piperidinyl]-4-thieno[3,2-d]pyrimidinamine
IUPAC NAME: N-(1-benzylpiperidin-4-yl)-6-tert-butylthieno[3,2-d]pyrimidin-4-amine
SYSTEMATIC NAME: 6-tert-butyl-N-[1-(phenylmethyl)piperidin-4-yl]thieno[3,2-d]pyrimidin-4-amine
MOLECULAR FORMULA: C22H28N4S
MOLECULAR WEIGHT: 380.54952
SMILES: CC(C)(C)C1=CC2=C(S1)C(=NC=N2)NC3CCN(CC3)CC4=CC=CC=C4
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Product OPENEYE NAME: N,6-diphenylthieno[3,2-d]pyrimidin-4-amine
CAS Name: N,6-diphenyl-4-thieno[3,2-d]pyrimidinamine
IUPAC NAME: N,6-diphenylthieno[3,2-d]pyrimidin-4-amine
SYSTEMATIC NAME: N,6-diphenylthieno[3,2-d]pyrimidin-4-amine
MOLECULAR FORMULA: C18H13N3S
MOLECULAR WEIGHT: 303.38092
SMILES: C1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)NC4=CC=CC=C4
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Product OPENEYE NAME: 6-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine
CAS Name: 6-phenyl-N-[4-(trifluoromethoxy)phenyl]-4-thieno[3,2-d]pyrimidinamine
IUPAC NAME: 6-phenyl-N-[4-(trifluoromethoxy)phenyl]thieno[3,2-d]pyrimidin-4-amine
SYSTEMATIC NAME: 6-phenyl-N-[4-(trifluoromethyloxy)phenyl]thieno[3,2-d]pyrimidin-4-amine
MOLECULAR FORMULA: C19H12F3N3OS
MOLECULAR WEIGHT: 387.37829
SMILES: C1=CC=C(C=C1)C2=CC3=C(S2)C(=NC=N3)NC4=CC=C(C=C4)OC(F)(F)F
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Product OPENEYE NAME: N-(3-methoxyphenyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-amine
CAS Name: N-(3-methoxyphenyl)-6-phenyl-4-thieno[3,2-d]pyrimidinamine
IUPAC NAME: N-(3-methoxyphenyl)-6-phenylthieno[3,2-d]pyrimidin-4-amine
SYSTEMATIC NAME: N-(3-methoxyphenyl)-6-phenyl-thieno[3,2-d]pyrimidin-4-amine
MOLECULAR FORMULA: C19H15N3OS
MOLECULAR WEIGHT: 333.4069
SMILES: COC1=CC=CC(=C1)NC2=NC=NC3=C2SC(=C3)C4=CC=CC=C4
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Product OPENEYE NAME: 5-amino-1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]pyrazole-4-carbonitrile
CAS Name: 5-amino-1-[[1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]-4-pyrazolecarbonitrile
IUPAC NAME: 5-amino-1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]pyrazole-4-carbonitrile
SYSTEMATIC NAME: 5-azanyl-1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonyl-pyrazole-4-carbonitrile
MOLECULAR FORMULA: C15H8F3N7O3
MOLECULAR WEIGHT: 391.26433
SMILES: C1=CC(=CC=C1N2C(=C(C=N2)C(=O)N3C(=C(C=N3)C#N)N)C(F)(F)F)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CAS Name: 1-[[1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonyl-5-(trifluoromethyl)pyrazole-4-carboxylate
MOLECULAR FORMULA: C18H11F6N5O5
MOLECULAR WEIGHT: 491.300859
SMILES: CCOC(=O)C1=C(N(N=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)C(F)(F)F
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Product OPENEYE NAME: ethyl 5-amino-1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]pyrazole-4-carboxylate
CAS Name: 5-amino-1-[[1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolyl]-oxomethyl]-4-pyrazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-amino-1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]pyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 5-azanyl-1-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbonyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C17H13F3N6O5
MOLECULAR WEIGHT: 438.31753
SMILES: CCOC(=O)C1=C(N(N=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(F)(F)F)N
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Product OPENEYE NAME: 2-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-5-(p-tolyl)-1,3,4-oxadiazole
CAS Name: 2-(4-methylphenyl)-5-[1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolyl]-1,3,4-oxadiazole
IUPAC NAME: 2-(4-methylphenyl)-5-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(4-methylphenyl)-5-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C19H12F3N5O3
MOLECULAR WEIGHT: 415.32549
SMILES: CC1=CC=C(C=C1)C2=NN=C(O2)C3=C(N(N=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F
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Product OPENEYE NAME: 2-(2-furyl)-5-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
CAS Name: 2-(2-furanyl)-5-[1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolyl]-1,3,4-oxadiazole
IUPAC NAME: 2-(furan-2-yl)-5-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(furan-2-yl)-5-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazole
MOLECULAR FORMULA: C16H8F3N5O4
MOLECULAR WEIGHT: 391.26103
SMILES: C1=COC(=C1)C2=NN=C(O2)C3=C(N(N=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F
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Product OPENEYE NAME: 2-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-5-(2-thienyl)-1,3,4-oxadiazole
CAS Name: 2-[1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolyl]-5-thiophen-2-yl-1,3,4-oxadiazole
IUPAC NAME: 2-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
MOLECULAR FORMULA: C16H8F3N5O3S
MOLECULAR WEIGHT: 407.32663
SMILES: C1=CSC(=C1)C2=NN=C(O2)C3=C(N(N=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(F)(F)F
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Product OPENEYE NAME: (1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)-morpholino-methanone
CAS Name: [1-methyl-5-(1-pyrrolyl)-4-pyrazolyl]-(4-morpholinyl)methanone
IUPAC NAME: (1-methyl-5-pyrrol-1-ylpyrazol-4-yl)-morpholin-4-ylmethanone
SYSTEMATIC NAME: (1-methyl-5-pyrrol-1-yl-pyrazol-4-yl)-morpholin-4-yl-methanone
MOLECULAR FORMULA: C13H16N4O2
MOLECULAR WEIGHT: 260.29174
SMILES: CN1C(=C(C=N1)C(=O)N2CCOCC2)N3C=CC=C3
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Product OPENEYE NAME: N-(3-fluorophenyl)-1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide
CAS Name: N-(3-fluorophenyl)-1-methyl-5-(1-pyrrolyl)-4-pyrazolecarboxamide
IUPAC NAME: N-(3-fluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SYSTEMATIC NAME: N-(3-fluorophenyl)-1-methyl-5-pyrrol-1-yl-pyrazole-4-carboxamide
MOLECULAR FORMULA: C15H13FN4O
MOLECULAR WEIGHT: 284.288323
SMILES: CN1C(=C(C=N1)C(=O)NC2=CC(=CC=C2)F)N3C=CC=C3
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Product OPENEYE NAME: 6-tert-butyl-4-[4-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
CAS Name: 6-tert-butyl-4-[4-(6-tert-butyl-4-thieno[3,2-d]pyrimidinyl)-1-piperazinyl]thieno[3,2-d]pyrimidine
IUPAC NAME: 6-tert-butyl-4-[4-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
SYSTEMATIC NAME: 6-tert-butyl-4-[4-(6-tert-butylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]thieno[3,2-d]pyrimidine
MOLECULAR FORMULA: C24H30N6S2
MOLECULAR WEIGHT: 466.6652
SMILES: CC(C)(C)C1=CC2=C(S1)C(=NC=N2)N3CCN(CC3)C4=NC=NC5=C4SC(=C5)C(C)(C)C
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Product OPENEYE NAME: 6-tert-butyl-4-(1-piperidyl)thieno[3,2-d]pyrimidine
CAS Name: 6-tert-butyl-4-(1-piperidinyl)thieno[3,2-d]pyrimidine
IUPAC NAME: 6-tert-butyl-4-piperidin-1-ylthieno[3,2-d]pyrimidine
SYSTEMATIC NAME: 6-tert-butyl-4-piperidin-1-yl-thieno[3,2-d]pyrimidine
MOLECULAR FORMULA: C15H21N3S
MOLECULAR WEIGHT: 275.41234
SMILES: CC(C)(C)C1=CC2=C(S1)C(=NC=N2)N3CCCCC3
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