Sunday, December 25, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 3-[4-[5-isopropoxy-4-[[4-(2-isopropylsulfonylanilino)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-2-methyl-phenyl]-1-piperidyl]propanamide
CAS Name: 3-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]-1-piperidinyl]propanamide
IUPAC NAME: 3-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propanamide
SYSTEMATIC NAME: 3-[4-[2-methyl-4-[[3-methyl-4-[(2-propan-2-ylsulfonylphenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxy-phenyl]piperidin-1-yl]propanamide
MOLECULAR FORMULA: C33H44N8O4S
MOLECULAR WEIGHT: 648.81866
SMILES: CC1=CC(=C(C=C1C2CCN(CC2)CCC(=O)N)OC(C)C)NC3=NC4=NNC(=C4C(=N3)NC5=CC=CC=C5S(=O)(=O)C(C)C)C
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Product OPENEYE NAME: 3-[4-[5-isopropoxy-4-[[4-(2-isopropylsulfonylanilino)-3-methyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-2-methyl-phenyl]-1-piperidyl]-N,N-dimethyl-propanamide
CAS Name: N,N-dimethyl-3-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]-1-piperidinyl]propanamide
IUPAC NAME: N,N-dimethyl-3-[4-[2-methyl-4-[[3-methyl-4-(2-propan-2-ylsulfonylanilino)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]propanamide
SYSTEMATIC NAME: N,N-dimethyl-3-[4-[2-methyl-4-[[3-methyl-4-[(2-propan-2-ylsulfonylphenyl)amino]-2H-pyrazolo[3,4-d]pyrimidin-6-yl]amino]-5-propan-2-yloxy-phenyl]piperidin-1-yl]propanamide
MOLECULAR FORMULA: C35H48N8O4S
MOLECULAR WEIGHT: 676.87182
SMILES: CC1=CC(=C(C=C1C2CCN(CC2)CCC(=O)N(C)C)OC(C)C)NC3=NC4=NNC(=C4C(=N3)NC5=CC=CC=C5S(=O)(=O)C(C)C)C
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Product OPENEYE NAME: 5-chloro-2-[4-[(1R,2S)-2-[2-[3-fluoro-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]-1-piperidyl]pyrimidine
CAS Name: 5-chloro-2-[4-[(1R,2S)-2-[2-[3-fluoro-4-(1-tetrazolyl)phenoxy]ethyl]cyclopropyl]-1-piperidinyl]pyrimidine
IUPAC NAME: 5-chloro-2-[4-[(1R,2S)-2-[2-[3-fluoro-4-(tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
SYSTEMATIC NAME: 5-chloranyl-2-[4-[(1R,2S)-2-[2-[3-fluoranyl-4-(1,2,3,4-tetrazol-1-yl)phenoxy]ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
MOLECULAR FORMULA: C21H23ClFN7O
MOLECULAR WEIGHT: 443.905023
SMILES: C1CN(CCC1[C@H]2C[C@H]2CCOC3=CC(=C(C=C3)N4C=NN=N4)F)C5=NC=C(C=N5)Cl
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Product OPENEYE NAME: 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-fluoropyrimidin-2-yl)-4-piperidyl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
CAS Name: 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-fluoro-2-pyrimidinyl)-4-piperidinyl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
IUPAC NAME: 2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[2-fluoranyl-4-[2-[(1S,2R)-2-[1-(5-fluoranylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C23H25F2N5O2
MOLECULAR WEIGHT: 441.473706
SMILES: CC1=NN=C(O1)C2=C(C=C(C=C2)OCC[C@@H]3C[C@@H]3C4CCN(CC4)C5=NC=C(C=N5)F)F
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Product OPENEYE NAME: 2-[2-fluoro-4-[2-[(1R,2S)-2-[1-(5-fluoropyrimidin-2-yl)-4-piperidyl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
CAS Name: 2-[2-fluoro-4-[2-[(1R,2S)-2-[1-(5-fluoro-2-pyrimidinyl)-4-piperidinyl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
IUPAC NAME: 2-[2-fluoro-4-[2-[(1R,2S)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[2-fluoranyl-4-[2-[(1R,2S)-2-[1-(5-fluoranylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C23H25F2N5O2
MOLECULAR WEIGHT: 441.473706
SMILES: CC1=NN=C(O1)C2=C(C=C(C=C2)OCC[C@H]3C[C@H]3C4CCN(CC4)C5=NC=C(C=N5)F)F
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Product OPENEYE NAME: 2-[2-fluoro-4-[2-[(1R,2S)-2-(1-pyrimidin-2-yl-4-piperidyl)cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
CAS Name: 2-[2-fluoro-4-[2-[(1R,2S)-2-[1-(2-pyrimidinyl)-4-piperidinyl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
IUPAC NAME: 2-[2-fluoro-4-[2-[(1R,2S)-2-(1-pyrimidin-2-ylpiperidin-4-yl)cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[2-fluoranyl-4-[2-[(1R,2S)-2-(1-pyrimidin-2-ylpiperidin-4-yl)cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C23H26FN5O2
MOLECULAR WEIGHT: 423.483243
SMILES: CC1=NN=C(O1)C2=C(C=C(C=C2)OCC[C@H]3C[C@H]3C4CCN(CC4)C5=NC=CC=N5)F
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Product OPENEYE NAME: 2-[4-[2-[(1R,2S)-2-[1-(5-chloro-4-methyl-pyrimidin-2-yl)-4-piperidyl]cyclopropyl]ethoxy]-2-fluoro-phenyl]-5-methyl-1,3,4-oxadiazole
CAS Name: 2-[4-[2-[(1R,2S)-2-[1-(5-chloro-4-methyl-2-pyrimidinyl)-4-piperidinyl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole
IUPAC NAME: 2-[4-[2-[(1R,2S)-2-[1-(5-chloro-4-methylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[4-[2-[(1R,2S)-2-[1-(5-chloranyl-4-methyl-pyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoranyl-phenyl]-5-methyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C24H27ClFN5O2
MOLECULAR WEIGHT: 471.954883
SMILES: CC1=NC(=NC=C1Cl)N2CCC(CC2)[C@@H]3C[C@@H]3CCOC4=CC(=C(C=C4)C5=NN=C(O5)C)F
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Product OPENEYE NAME: 5-(3-ethylsulfonylphenyl)-3-methyl-8-[3-(1,2,4-triazol-4-yl)propoxy]-9H-pyrido[2,3-b]indole
CAS Name: 5-(3-ethylsulfonylphenyl)-3-methyl-8-[3-(1,2,4-triazol-4-yl)propoxy]-9H-pyrido[2,3-b]indole
IUPAC NAME: 5-(3-ethylsulfonylphenyl)-3-methyl-8-[3-(1,2,4-triazol-4-yl)propoxy]-9H-pyrido[2,3-b]indole
SYSTEMATIC NAME: 5-(3-ethylsulfonylphenyl)-3-methyl-8-[3-(1,2,4-triazol-4-yl)propoxy]-9H-pyrido[2,3-b]indole
MOLECULAR FORMULA: C25H25N5O3S
MOLECULAR WEIGHT: 475.5627
SMILES: CCS(=O)(=O)C1=CC=CC(=C1)C2=C3C4=CC(=CN=C4NC3=C(C=C2)OCCCN5C=NN=C5)C
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Product OPENEYE NAME: 5-(3-ethylsulfonylphenyl)-3-methyl-8-(3-pyrrol-1-ylpropoxy)-9H-pyrido[2,3-b]indole
CAS Name: 5-(3-ethylsulfonylphenyl)-3-methyl-8-[3-(1-pyrrolyl)propoxy]-9H-pyrido[2,3-b]indole
IUPAC NAME: 5-(3-ethylsulfonylphenyl)-3-methyl-8-(3-pyrrol-1-ylpropoxy)-9H-pyrido[2,3-b]indole
SYSTEMATIC NAME: 5-(3-ethylsulfonylphenyl)-3-methyl-8-(3-pyrrol-1-ylpropoxy)-9H-pyrido[2,3-b]indole
MOLECULAR FORMULA: C27H27N3O3S
MOLECULAR WEIGHT: 473.58658
SMILES: CCS(=O)(=O)C1=CC=CC(=C1)C2=C3C4=CC(=CN=C4NC3=C(C=C2)OCCCN5C=CC=C5)C
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Product OPENEYE NAME: 5-(3-ethylsulfonylphenyl)-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-9H-pyrido[2,3-b]indole
CAS Name: 5-(3-ethylsulfonylphenyl)-3-methyl-8-[3-(1-pyrrolidinyl)propoxy]-9H-pyrido[2,3-b]indole
IUPAC NAME: 5-(3-ethylsulfonylphenyl)-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-9H-pyrido[2,3-b]indole
SYSTEMATIC NAME: 5-(3-ethylsulfonylphenyl)-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-9H-pyrido[2,3-b]indole
MOLECULAR FORMULA: C27H31N3O3S
MOLECULAR WEIGHT: 477.61834
SMILES: CCS(=O)(=O)C1=CC=CC(=C1)C2=C3C4=CC(=CN=C4NC3=C(C=C2)OCCCN5CCCC5)C
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Product OPENEYE NAME: 5-(3-ethylsulfonylphenyl)-3-methyl-8-(3-pyrazol-1-ylpropoxy)-9H-pyrido[2,3-b]indole
CAS Name: 5-(3-ethylsulfonylphenyl)-3-methyl-8-[3-(1-pyrazolyl)propoxy]-9H-pyrido[2,3-b]indole
IUPAC NAME: 5-(3-ethylsulfonylphenyl)-3-methyl-8-(3-pyrazol-1-ylpropoxy)-9H-pyrido[2,3-b]indole
SYSTEMATIC NAME: 5-(3-ethylsulfonylphenyl)-3-methyl-8-(3-pyrazol-1-ylpropoxy)-9H-pyrido[2,3-b]indole
MOLECULAR FORMULA: C26H26N4O3S
MOLECULAR WEIGHT: 474.57464
SMILES: CCS(=O)(=O)C1=CC=CC(=C1)C2=C3C4=CC(=CN=C4NC3=C(C=C2)OCCCN5C=CC=N5)C
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Product OPENEYE NAME: 1-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]pyrrolidin-2-one
CAS Name: 1-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]-2-pyrrolidinone
IUPAC NAME: 1-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]pyrrolidin-2-one
MOLECULAR FORMULA: C27H29N3O4S
MOLECULAR WEIGHT: 491.60186
SMILES: CCS(=O)(=O)C1=CC=CC(=C1)C2=C3C4=CC(=CN=C4NC3=C(C=C2)OCCCN5CCCC5=O)C
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Product OPENEYE NAME: N-isopropyl-2-[3-(4-methoxyphenyl)-1-oxo-7-[4-(1-piperidyl)butyl]pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CAS Name: 2-[3-(4-methoxyphenyl)-1-oxo-7-[4-(1-piperidinyl)butyl]-2-pyrrolo[1,2-a]pyrazinyl]-N-propan-2-ylacetamide
IUPAC NAME: 2-[3-(4-methoxyphenyl)-1-oxo-7-(4-piperidin-1-ylbutyl)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[3-(4-methoxyphenyl)-1-oxidanylidene-7-(4-piperidin-1-ylbutyl)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C28H38N4O3
MOLECULAR WEIGHT: 478.62632
SMILES: CC(C)NC(=O)CN1C(=CN2C=C(C=C2C1=O)CCCCN3CCCCC3)C4=CC=C(C=C4)OC
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Product OPENEYE NAME: N-isopropyl-2-[1-oxo-3-phenyl-7-[4-(1-piperidyl)butyl]pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CAS Name: 2-[1-oxo-3-phenyl-7-[4-(1-piperidinyl)butyl]-2-pyrrolo[1,2-a]pyrazinyl]-N-propan-2-ylacetamide
IUPAC NAME: 2-[1-oxo-3-phenyl-7-(4-piperidin-1-ylbutyl)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-[1-oxidanylidene-3-phenyl-7-(4-piperidin-1-ylbutyl)pyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C27H36N4O2
MOLECULAR WEIGHT: 448.60034
SMILES: CC(C)NC(=O)CN1C(=CN2C=C(C=C2C1=O)CCCCN3CCCCC3)C4=CC=CC=C4
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