Saturday, December 31, 2011

All Chemical Compounds Information




Product OPENEYE NAME: [2-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl] acetate
CAS Name: acetic acid [2-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrazinyl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] ester
IUPAC NAME: [2-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl] acetate
SYSTEMATIC NAME: [2-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl] ethanoate
MOLECULAR FORMULA: C21H23N7O3
MOLECULAR WEIGHT: 421.45242
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC4=C(CCN(C4)C(=O)COC(=O)C)C=C3
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Product OPENEYE NAME: 2-(dimethylamino)-1-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CAS Name: 2-(dimethylamino)-1-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrazinyl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
IUPAC NAME: 2-(dimethylamino)-1-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
SYSTEMATIC NAME: 2-(dimethylamino)-1-[7-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
MOLECULAR FORMULA: C21H26N8O
MOLECULAR WEIGHT: 406.48414
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC4=C(CCCN4C(=O)CN(C)C)C=C3
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Product OPENEYE NAME: methyl 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]indoline-1-carboxylate
CAS Name: 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-pyrazinyl]amino]-2,3-dihydroindole-1-carboxylic acid methyl ester
IUPAC NAME: methyl 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-2,3-dihydroindole-1-carboxylate
SYSTEMATIC NAME: methyl 6-[[6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazin-2-yl]amino]-2,3-dihydroindole-1-carboxylate
MOLECULAR FORMULA: C18H19N7O2
MOLECULAR WEIGHT: 365.38916
SMILES: CC1=CC(=NN1)NC2=NC(=CN=C2)NC3=CC4=C(CCN4C(=O)OC)C=C3
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MOLECULAR FORMULA: C32H35FN4O6S
MOLECULAR WEIGHT: 622.706903
SMILES: COC1=CC2=C(C=C1)N=C(S2)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/C=C\CCCCC[C@@H](C(=O)N4C3)NC6=CC(=CC=C6)F)C(=O)O
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MOLECULAR FORMULA: C31H32BrFN4O5S
MOLECULAR WEIGHT: 671.576983
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NC4=CC(=CC=C4)F)OC5=NC6=C(S5)C=C(C=C6)Br)C(=O)O
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MOLECULAR FORMULA: C31H32F2N4O5S
MOLECULAR WEIGHT: 610.671386
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NC4=CC(=CC=C4)F)OC5=NC6=C(S5)C=C(C=C6)F)C(=O)O
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MOLECULAR FORMULA: C31H32ClFN4O5S
MOLECULAR WEIGHT: 627.125983
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NC4=CC(=CC=C4)F)OC5=NC6=C(S5)C=C(C=C6)Cl)C(=O)O
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MOLECULAR FORMULA: C35H41N5O7S
MOLECULAR WEIGHT: 675.79434
SMILES: C1CC/C=C\[C@@H]2C[C@]2(NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](CC1)NCC4=CC=CC=C4)OC5=NC6=CC=CC=C6O5)C(=O)NS(=O)(=O)C7CC7
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MOLECULAR FORMULA: C36H43N5O6S2
MOLECULAR WEIGHT: 705.88652
SMILES: CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)OC5=NC6=CC=CC=C6S5)NCC7=CC=CC=C7
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MOLECULAR FORMULA: C36H42BrN5O6S2
MOLECULAR WEIGHT: 784.78258
SMILES: CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)OC5=NC6=C(S5)C=C(C=C6)Br)NCC7=CC=CC=C7
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MOLECULAR FORMULA: C37H45N5O7S2
MOLECULAR WEIGHT: 735.9125
SMILES: CC1(CC1)S(=O)(=O)NC(=O)[C@@]23C[C@H]2/C=C\CCCCC[C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N3)OC5=NC6=C(S5)C=C(C=C6)OC)NCC7=CC=CC=C7
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Product OPENEYE NAME: 1-(4-fluorophenyl)-N-[(4-iodophenyl)methyl]indazole-4-carboxamide
CAS Name: 1-(4-fluorophenyl)-N-[(4-iodophenyl)methyl]-4-indazolecarboxamide
IUPAC NAME: 1-(4-fluorophenyl)-N-[(4-iodophenyl)methyl]indazole-4-carboxamide
SYSTEMATIC NAME: 1-(4-fluorophenyl)-N-[(4-iodophenyl)methyl]indazole-4-carboxamide
MOLECULAR FORMULA: C21H15FIN3O
MOLECULAR WEIGHT: 471.266173
SMILES: C1=CC(=C2C=NN(C2=C1)C3=CC=C(C=C3)F)C(=O)NCC4=CC=C(C=C4)I
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Product OPENEYE NAME: 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
CAS Name: 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]-4-indazolecarboxamide
IUPAC NAME: 6-bromo-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
SYSTEMATIC NAME: 6-bromanyl-1-(4-fluorophenyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]indazole-4-carboxamide
MOLECULAR FORMULA: C22H18BrFN4O3S
MOLECULAR WEIGHT: 517.370723
SMILES: CNS(=O)(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=CC3=C2C=NN3C4=CC=C(C=C4)F)Br
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