Monday, December 26, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 7-[(E)-2-[2-(4-fluorobutoxy)-3-methoxy-phenyl]vinyl]-6-[4-(trifluoromethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-[2-(4-fluorobutoxy)-3-methoxyphenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-[2-(4-fluorobutoxy)-3-methoxyphenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-[2-(4-fluoranylbutoxy)-3-methoxy-phenyl]ethenyl]-6-[4-(trifluoromethyloxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C26H22F4N2O4S
MOLECULAR WEIGHT: 534.522493
SMILES: COC1=CC=CC(=C1OCCCCF)/C=C/C2=C(C(=O)N3C=CSC3=N2)C4=CC=C(C=C4)OC(F)(F)F
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Product OPENEYE NAME: 7-[(E)-2-(2-butoxy-3-methoxy-phenyl)vinyl]-6-[4-(trifluoromethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-(2-butoxy-3-methoxyphenyl)ethenyl]-6-[4-(trifluoromethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-(2-butoxy-3-methoxyphenyl)ethenyl]-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-(2-butoxy-3-methoxy-phenyl)ethenyl]-6-[4-(trifluoromethyloxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C26H23F3N2O4S
MOLECULAR WEIGHT: 516.53203
SMILES: CCCCOC1=C(C=CC=C1OC)/C=C/C2=C(C(=O)N3C=CSC3=N2)C4=CC=C(C=C4)OC(F)(F)F
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Product OPENEYE NAME: 7-[(E)-2-(2,3-dihydroxyphenyl)vinyl]-6-[4-(trifluoromethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]-6-[4-(trifluoromethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-(2,3-dihydroxyphenyl)ethenyl]-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-[2,3-bis(oxidanyl)phenyl]ethenyl]-6-[4-(trifluoromethyloxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C21H13F3N2O4S
MOLECULAR WEIGHT: 446.39913
SMILES: C1=CC(=C(C(=C1)O)O)/C=C/C2=C(C(=O)N3C=CSC3=N2)C4=CC=C(C=C4)OC(F)(F)F
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Product OPENEYE NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-hydroxy-phenyl]vinyl]-6-[4-(trifluoromethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-hydroxyphenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-hydroxyphenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-oxidanyl-phenyl]ethenyl]-6-[4-(trifluoromethyloxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C25H19F3N2O4S
MOLECULAR WEIGHT: 500.48957
SMILES: C1CC1COC2=C(C=CC=C2O)/C=C/C3=C(C(=O)N4C=CSC4=N3)C5=CC=C(C=C5)OC(F)(F)F
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Product OPENEYE NAME: 1-[2-[4-(4-acetylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide
CAS Name: 1-[2-[4-(4-acetyl-1-piperazinyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-piperidinecarboxamide
IUPAC NAME: 1-[2-[4-(4-acetylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide
SYSTEMATIC NAME: 1-[2-[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-3-carboxamide
MOLECULAR FORMULA: C24H30N8O2
MOLECULAR WEIGHT: 462.5474
SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)N5CCCC(C5)C(=O)N
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Product OPENEYE NAME: 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-[4-(aminomethyl)-1-piperidyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CAS Name: 2-[4-(4-acetyl-1-piperazinyl)anilino]-4-[4-(aminomethyl)-1-piperidinyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
IUPAC NAME: 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-[4-(aminomethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SYSTEMATIC NAME: 4-[4-(aminomethyl)piperidin-1-yl]-2-[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
MOLECULAR FORMULA: C25H31N9O
MOLECULAR WEIGHT: 473.57334
SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=CN4)C#N)C(=N3)N5CCC(CC5)CN
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Product OPENEYE NAME: N-(4-piperazin-1-ylphenyl)-4-(1-piperidyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CAS Name: N-[4-(1-piperazinyl)phenyl]-4-(1-piperidinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
IUPAC NAME: N-(4-piperazin-1-ylphenyl)-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SYSTEMATIC NAME: N-(4-piperazin-1-ylphenyl)-4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
MOLECULAR FORMULA: C21H27N7
MOLECULAR WEIGHT: 377.48598
SMILES: C1CCN(CC1)C2=NC(=NC3=C2C=CN3)NC4=CC=C(C=C4)N5CCNCC5
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Product OPENEYE NAME: 1-[4-[4-[[4-(1-piperidyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CAS Name: 1-[4-[4-[[4-(1-piperidinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-1-piperazinyl]ethanone
IUPAC NAME: 1-[4-[4-[(4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[4-[(4-piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
MOLECULAR FORMULA: C23H29N7O
MOLECULAR WEIGHT: 419.52266
SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)N5CCCCC5
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Product OPENEYE NAME: 1-[2-[4-(4-acetylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CAS Name: 1-[2-[4-(4-acetyl-1-piperazinyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidinecarboxamide
IUPAC NAME: 1-[2-[4-(4-acetylpiperazin-1-yl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[2-[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
MOLECULAR FORMULA: C24H30N8O2
MOLECULAR WEIGHT: 462.5474
SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)N5CCC(CC5)C(=O)N
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Product OPENEYE NAME: 5-(1-butoxyethyl)-N4-cyclopropyl-N2-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CAS Name: 5-(1-butoxyethyl)-N4-cyclopropyl-N2-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
IUPAC NAME: 5-(1-butoxyethyl)-4-N-cyclopropyl-2-N-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SYSTEMATIC NAME: 5-(1-butoxyethyl)-N4-cyclopropyl-N2-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C22H27N7O
MOLECULAR WEIGHT: 405.49608
SMILES: CCCCOC(C)C1=CNC2=C1C(=NC(=N2)NC3=CC4=C(C=C3)C=NN4)NC5CC5
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Product OPENEYE NAME: 3-[butyl(phenoxy)amino]propan-1-ol
CAS Name: 3-[butyl(phenoxy)amino]-1-propanol
IUPAC NAME: 3-[butyl(phenoxy)amino]propan-1-ol
SYSTEMATIC NAME: 3-[butyl(phenoxy)amino]propan-1-ol
MOLECULAR FORMULA: C13H21NO2
MOLECULAR WEIGHT: 223.31134
SMILES: CCCCN(CCCO)OC1=CC=CC=C1
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Product OPENEYE NAME: 6-[[5-chloro-4-(2-isopropylsulfonylanilino)pyrimidin-2-yl]amino]-2-[1-[2-(dimethylamino)acetyl]-4-piperidyl]-5-isopropoxy-isoindolin-1-one
CAS Name: 6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-2-[1-[2-(dimethylamino)-1-oxoethyl]-4-piperidinyl]-5-propan-2-yloxy-3H-isoindol-1-one
IUPAC NAME: 6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-5-propan-2-yloxy-3H-isoindol-1-one
SYSTEMATIC NAME: 6-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-[1-[2-(dimethylamino)ethanoyl]piperidin-4-yl]-5-propan-2-yloxy-3H-isoindol-1-one
MOLECULAR FORMULA: C33H42ClN7O5S
MOLECULAR WEIGHT: 684.24848
SMILES: CC(C)OC1=C(C=C2C(=C1)CN(C2=O)C3CCN(CC3)C(=O)CN(C)C)NC4=NC=C(C(=N4)NC5=CC=CC=C5S(=O)(=O)C(C)C)Cl
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Product OPENEYE NAME: 6-[[5-chloro-4-(2-cyclohexylsulfonylanilino)pyrimidin-2-yl]amino]-2-[1-[2-(dimethylamino)acetyl]-4-piperidyl]-5-isopropoxy-isoindolin-1-one
CAS Name: 6-[[5-chloro-4-(2-cyclohexylsulfonylanilino)-2-pyrimidinyl]amino]-2-[1-[2-(dimethylamino)-1-oxoethyl]-4-piperidinyl]-5-propan-2-yloxy-3H-isoindol-1-one
IUPAC NAME: 6-[[5-chloro-4-(2-cyclohexylsulfonylanilino)pyrimidin-2-yl]amino]-2-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]-5-propan-2-yloxy-3H-isoindol-1-one
SYSTEMATIC NAME: 6-[[5-chloranyl-4-[(2-cyclohexylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-2-[1-[2-(dimethylamino)ethanoyl]piperidin-4-yl]-5-propan-2-yloxy-3H-isoindol-1-one
MOLECULAR FORMULA: C36H46ClN7O5S
MOLECULAR WEIGHT: 724.31234
SMILES: CC(C)OC1=C(C=C2C(=C1)CN(C2=O)C3CCN(CC3)C(=O)CN(C)C)NC4=NC=C(C(=N4)NC5=CC=CC=C5S(=O)(=O)C6CCCCC6)Cl
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Product OPENEYE NAME: 6-[[5-chloro-4-(2-isopropylsulfonylanilino)pyrimidin-2-yl]amino]-5-isopropoxy-2-[1-[(2S)-pyrrolidine-2-carbonyl]-4-piperidyl]isoindolin-1-one
CAS Name: 6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)-2-pyrimidinyl]amino]-2-[1-[oxo-[(2S)-2-pyrrolidinyl]methyl]-4-piperidinyl]-5-propan-2-yloxy-3H-isoindol-1-one
IUPAC NAME: 6-[[5-chloro-4-(2-propan-2-ylsulfonylanilino)pyrimidin-2-yl]amino]-5-propan-2-yloxy-2-[1-[(2S)-pyrrolidine-2-carbonyl]piperidin-4-yl]-3H-isoindol-1-one
SYSTEMATIC NAME: 6-[[5-chloranyl-4-[(2-propan-2-ylsulfonylphenyl)amino]pyrimidin-2-yl]amino]-5-propan-2-yloxy-2-[1-[(2S)-pyrrolidin-2-yl]carbonylpiperidin-4-yl]-3H-isoindol-1-one
MOLECULAR FORMULA: C34H42ClN7O5S
MOLECULAR WEIGHT: 696.25918
SMILES: CC(C)OC1=C(C=C2C(=C1)CN(C2=O)C3CCN(CC3)C(=O)[C@@H]4CCCN4)NC5=NC=C(C(=N5)NC6=CC=CC=C6S(=O)(=O)C(C)C)Cl
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