Sunday, January 22, 2012

All Chemical Compounds Information




Product OPENEYE NAME: 6-benzyl-N-cyclohexyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Name: N-cyclohexyl-5,7-dimethyl-6-(phenylmethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
IUPAC NAME: 6-benzyl-N-cyclohexyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SYSTEMATIC NAME: N-cyclohexyl-5,7-dimethyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
MOLECULAR FORMULA: C22H26N4O
MOLECULAR WEIGHT: 362.46804
SMILES: CC1=C(C(=NC2=C(C=NN12)C(=O)NC3CCCCC3)C)CC4=CC=CC=C4
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Product OPENEYE NAME: 3-[(6-benzyl-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propyl-diethyl-ammonium
CAS Name: 3-[[[5,7-dimethyl-6-(phenylmethyl)-3-pyrazolo[1,5-a]pyrimidinyl]-oxomethyl]amino]propyl-diethylammonium
IUPAC NAME: 3-[(6-benzyl-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propyl-diethylazanium
SYSTEMATIC NAME: 3-[[5,7-dimethyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonylamino]propyl-diethyl-azanium
MOLECULAR FORMULA: C23H32N5O+
MOLECULAR WEIGHT: 394.53308
SMILES: CC[NH+](CC)CCCNC(=O)C1=C2N=C(C(=C(N2N=C1)C)CC3=CC=CC=C3)C
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Product OPENEYE NAME: 6-benzyl-N-[3-(diethylamino)propyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Name: N-[3-(diethylamino)propyl]-5,7-dimethyl-6-(phenylmethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
IUPAC NAME: 6-benzyl-N-[3-(diethylamino)propyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SYSTEMATIC NAME: N-[3-(diethylamino)propyl]-5,7-dimethyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
MOLECULAR FORMULA: C23H31N5O
MOLECULAR WEIGHT: 393.52514
SMILES: CCN(CC)CCCNC(=O)C1=C2N=C(C(=C(N2N=C1)C)CC3=CC=CC=C3)C
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Product OPENEYE NAME: 6-benzyl-5,7-dimethyl-N-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Name: 5,7-dimethyl-N-(2-methylcyclohexyl)-6-(phenylmethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
IUPAC NAME: 6-benzyl-5,7-dimethyl-N-(2-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SYSTEMATIC NAME: 5,7-dimethyl-N-(2-methylcyclohexyl)-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
MOLECULAR FORMULA: C23H28N4O
MOLECULAR WEIGHT: 376.49462
SMILES: CC1CCCCC1NC(=O)C2=C3N=C(C(=C(N3N=C2)C)CC4=CC=CC=C4)C
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Product OPENEYE NAME: 6-benzyl-N-[(2-chlorophenyl)methyl]-5,7-dimethyl-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Name: N-[(2-chlorophenyl)methyl]-5,7-dimethyl-6-(phenylmethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
IUPAC NAME: 6-benzyl-N-[(2-chlorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SYSTEMATIC NAME: N-[(2-chlorophenyl)methyl]-5,7-dimethyl-6-(phenylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
MOLECULAR FORMULA: C23H21ClN4O
MOLECULAR WEIGHT: 404.89204
SMILES: CC1=C(C(=NC2=C(C=NN12)C(=O)NCC3=CC=CC=C3Cl)C)CC4=CC=CC=C4
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Product OPENEYE NAME: 6-benzyl-5,7-dimethyl-N-(3-pyridylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CAS Name: 5,7-dimethyl-6-(phenylmethyl)-N-(3-pyridinylmethyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
IUPAC NAME: 6-benzyl-5,7-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SYSTEMATIC NAME: 5,7-dimethyl-6-(phenylmethyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
MOLECULAR FORMULA: C22H21N5O
MOLECULAR WEIGHT: 371.43504
SMILES: CC1=C(C(=NC2=C(C=NN12)C(=O)NCC3=CN=CC=C3)C)CC4=CC=CC=C4
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Product OPENEYE NAME: 5-[(3-fluorophenyl)-[2-(3-pyridyl)-1-piperidyl]methyl]-2-methyl-thiazolo[3,2-b][1,2,4]triazol-6-ol
CAS Name: 5-[(3-fluorophenyl)-[2-(3-pyridinyl)-1-piperidinyl]methyl]-2-methyl-6-thiazolo[3,2-b][1,2,4]triazolol
IUPAC NAME: 5-[(3-fluorophenyl)-(2-pyridin-3-ylpiperidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SYSTEMATIC NAME: 5-[(3-fluorophenyl)-(2-pyridin-3-ylpiperidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
MOLECULAR FORMULA: C22H22FN5OS
MOLECULAR WEIGHT: 423.506383
SMILES: CC1=NN2C(=C(SC2=N1)C(C3=CC(=CC=C3)F)N4CCCCC4C5=CN=CC=C5)O
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Product OPENEYE NAME: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-phenacyl-purine-2,6-dione
CAS Name: 8-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione
IUPAC NAME: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-phenacylpurine-2,6-dione
SYSTEMATIC NAME: 8-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-1,3-dimethyl-7-phenacyl-purine-2,6-dione
MOLECULAR FORMULA: C26H27ClN6O3
MOLECULAR WEIGHT: 506.98398
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCN(CC3)C4=CC(=CC=C4)Cl)CC(=O)C5=CC=CC=C5
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Product OPENEYE NAME: 5-oxo-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]thiazolo[3,2-a]pyrimidine-6-carboxamide
CAS Name: 5-oxo-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-6-thiazolo[3,2-a]pyrimidinecarboxamide
IUPAC NAME: 5-oxo-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SYSTEMATIC NAME: 5-oxidanylidene-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
MOLECULAR FORMULA: C21H18N4O4S2
MOLECULAR WEIGHT: 454.52202
SMILES: C1=CC=C(C=C1)C2=CSC3=NC=C(C(=O)N23)C(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N
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Product OPENEYE NAME: N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxy-benzamide
CAS Name: N-[1-[4-[[cyclohexyl(oxo)methyl]amino]phenyl]ethylideneamino]-2-methoxybenzamide
IUPAC NAME: N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-2-methoxybenzamide
SYSTEMATIC NAME: N-[1-[4-(cyclohexylcarbonylamino)phenyl]ethylideneamino]-2-methoxy-benzamide
MOLECULAR FORMULA: C23H27N3O3
MOLECULAR WEIGHT: 393.47878
SMILES: CC(=NNC(=O)C1=CC=CC=C1OC)C2=CC=C(C=C2)NC(=O)C3CCCCC3
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Product OPENEYE NAME: methyl 4-(4-bromophenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CAS Name: 4-(4-bromophenyl)-2-[[oxo-(2-phenyl-4-quinolinyl)methyl]amino]-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 4-(4-bromophenyl)-2-[(2-phenylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 4-(4-bromophenyl)-2-[(2-phenylquinolin-4-yl)carbonylamino]thiophene-3-carboxylate
MOLECULAR FORMULA: C28H19BrN2O3S
MOLECULAR WEIGHT: 543.43106
SMILES: COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5
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Product OPENEYE NAME: methyl 2-[(2-chloropyridine-3-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate
CAS Name: 2-[[(2-chloro-3-pyridinyl)-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(2-chloropyridine-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(2-chloranylpyridin-3-yl)carbonylamino]-4-phenyl-thiophene-3-carboxylate
MOLECULAR FORMULA: C18H13ClN2O3S
MOLECULAR WEIGHT: 372.82542
SMILES: COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=C(N=CC=C3)Cl
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Product OPENEYE NAME: 9-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-nonanamide
CAS Name: 9-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
IUPAC NAME: 9-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
SYSTEMATIC NAME: 9-chloranyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecakis(fluoranyl)nonanamide
MOLECULAR FORMULA: C18H9ClF16N2O2S
MOLECULAR WEIGHT: 656.768711
SMILES: CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluoro-butanamide
CAS Name: N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
IUPAC NAME: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptafluorobutanamide
SYSTEMATIC NAME: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2,2,3,3,4,4,4-heptakis(fluoranyl)butanamide
MOLECULAR FORMULA: C15H12F7N3O4S
MOLECULAR WEIGHT: 463.327302
SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C(C(F)(F)F)(F)F)(F)F
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Product OPENEYE NAME: N-[4-(2,4-difluorophenyl)thiazol-2-yl]acetamide
CAS Name: N-[4-(2,4-difluorophenyl)-2-thiazolyl]acetamide
IUPAC NAME: N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
SYSTEMATIC NAME: N-[4-[2,4-bis(fluoranyl)phenyl]-1,3-thiazol-2-yl]ethanamide
MOLECULAR FORMULA: C11H8F2N2OS
MOLECULAR WEIGHT: 254.255826
SMILES: CC(=O)NC1=NC(=CS1)C2=C(C=C(C=C2)F)F
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Product OPENEYE NAME: ethyl 5-[3-(4-chlorophenyl)prop-2-enoylamino]-1-phenyl-pyrazole-4-carboxylate
CAS Name: 5-[[3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-[3-(4-chlorophenyl)prop-2-enoylamino]-1-phenylpyrazole-4-carboxylate
SYSTEMATIC NAME: ethyl 5-[3-(4-chlorophenyl)prop-2-enoylamino]-1-phenyl-pyrazole-4-carboxylate
MOLECULAR FORMULA: C21H18ClN3O3
MOLECULAR WEIGHT: 395.83892
SMILES: CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2)NC(=O)C=CC3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-2-(2-naphthyloxy)acetamide
CAS Name: N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-2-(2-naphthalenyloxy)acetamide
IUPAC NAME: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-naphthalen-2-yloxyacetamide
SYSTEMATIC NAME: N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-naphthalen-2-yloxy-ethanamide
MOLECULAR FORMULA: C23H21N3O5S
MOLECULAR WEIGHT: 451.49494
SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC4=CC=CC=C4C=C3
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Product OPENEYE NAME: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate
CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[(1-oxo-2-phenoxybutyl)amino]-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(2-phenoxybutanoylamino)thiophene-3-carboxylate
MOLECULAR FORMULA: C20H24N2O5S
MOLECULAR WEIGHT: 404.47996
SMILES: CCC(C(=O)NC1=C(C(=C(S1)C(=O)N(C)C)C)C(=O)OC)OC2=CC=CC=C2
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Product OPENEYE NAME: methyl 2-[(3-chloro-4-nitro-benzoyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate
CAS Name: 2-[[(3-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(4-chlorophenyl)-3-thiophenecarboxylic acid methyl ester
IUPAC NAME: methyl 2-[(3-chloro-4-nitrobenzoyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate
SYSTEMATIC NAME: methyl 2-[(3-chloranyl-4-nitro-phenyl)carbonylamino]-4-(4-chlorophenyl)thiophene-3-carboxylate
MOLECULAR FORMULA: C19H12Cl2N2O5S
MOLECULAR WEIGHT: 451.27998
SMILES: COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Cl)NC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])Cl
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