Sunday, December 25, 2011

All Chemical Compounds Information




Product OPENEYE NAME: N-[(3-methylsulfonylphenyl)methyl]-N-(4-piperidyl)-1H-indol-5-amine
CAS Name: N-[(3-methylsulfonylphenyl)methyl]-N-(4-piperidinyl)-1H-indol-5-amine
IUPAC NAME: N-[(3-methylsulfonylphenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine
SYSTEMATIC NAME: N-[(3-methylsulfonylphenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine
MOLECULAR FORMULA: C21H25N3O2S
MOLECULAR WEIGHT: 383.5071
SMILES: CS(=O)(=O)C1=CC=CC(=C1)CN(C2CCNCC2)C3=CC4=C(C=C3)NC=C4
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Product OPENEYE NAME: N-(benzothiophen-5-yl)-N-[(3-methylsulfonylphenyl)methyl]piperidin-4-amine
CAS Name: N-(1-benzothiophen-5-yl)-N-[(3-methylsulfonylphenyl)methyl]-4-piperidinamine
IUPAC NAME: N-(1-benzothiophen-5-yl)-N-[(3-methylsulfonylphenyl)methyl]piperidin-4-amine
SYSTEMATIC NAME: N-(1-benzothiophen-5-yl)-N-[(3-methylsulfonylphenyl)methyl]piperidin-4-amine
MOLECULAR FORMULA: C21H24N2O2S2
MOLECULAR WEIGHT: 400.55746
SMILES: CS(=O)(=O)C1=CC=CC(=C1)CN(C2CCNCC2)C3=CC4=C(C=C3)SC=C4
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Product OPENEYE NAME: 3-[[benzothiophen-5-yl(4-piperidyl)amino]methyl]benzenesulfonamide
CAS Name: 3-[[1-benzothiophen-5-yl(4-piperidinyl)amino]methyl]benzenesulfonamide
IUPAC NAME: 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzenesulfonamide
SYSTEMATIC NAME: 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzenesulfonamide
MOLECULAR FORMULA: C20H23N3O2S2
MOLECULAR WEIGHT: 401.54552
SMILES: C1CNCCC1N(CC2=CC(=CC=C2)S(=O)(=O)N)C3=CC4=C(C=C3)SC=C4
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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-methyl-propanamide
CAS Name: N-methyl-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-methyl-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-methyl-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: C34H46N8O4S
MOLECULAR WEIGHT: 662.84524
SMILES: CC1=CC(=C(C=C1C2CCN(CC2)CCC(=O)NC)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: N6-(2-isopropoxy-5-methyl-4-tetrahydropyran-4-yl-phenyl)-N4-(2-isopropylsulfonylphenyl)-3-methyl-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CAS Name: 3-methyl-N6-[5-methyl-4-(4-oxanyl)-2-propan-2-yloxyphenyl]-N4-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
IUPAC NAME: 3-methyl-6-N-[5-methyl-4-(oxan-4-yl)-2-propan-2-yloxyphenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
SYSTEMATIC NAME: 3-methyl-N6-[5-methyl-4-(oxan-4-yl)-2-propan-2-yloxy-phenyl]-N4-(2-propan-2-ylsulfonylphenyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
MOLECULAR FORMULA: C30H38N6O4S
MOLECULAR WEIGHT: 578.72552
SMILES: CC1=CC(=C(C=C1C2CCOCC2)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: N2-[2-isopropoxy-5-methyl-4-(4-piperidyl)phenyl]-N4-(2-isopropylsulfonylphenyl)-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CAS Name: 5-methyl-N2-[5-methyl-4-(4-piperidinyl)-2-propan-2-yloxyphenyl]-N4-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
IUPAC NAME: 5-methyl-2-N-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxyphenyl)-4-N-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
SYSTEMATIC NAME: 5-methyl-N2-(5-methyl-4-piperidin-4-yl-2-propan-2-yloxy-phenyl)-N4-(2-propan-2-ylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
MOLECULAR FORMULA: C31H40N6O3S
MOLECULAR WEIGHT: 576.7527
SMILES: CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC4=C(C(=CN4)C)C(=N3)NC5=CC=CC=C5S(=O)(=O)C(C)C
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Product OPENEYE NAME: 2-[4-[5-isopropoxy-4-[[4-(2-isopropylsulfonylanilino)-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-2-methyl-phenyl]-1-piperidyl]acetamide
CAS Name: 2-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]-1-piperidinyl]acetamide
IUPAC NAME: 2-[4-[2-methyl-4-[[5-methyl-4-(2-propan-2-ylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxyphenyl]piperidin-1-yl]acetamide
SYSTEMATIC NAME: 2-[4-[2-methyl-4-[[5-methyl-4-[(2-propan-2-ylsulfonylphenyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-propan-2-yloxy-phenyl]piperidin-1-yl]ethanamide
MOLECULAR FORMULA: C33H43N7O4S
MOLECULAR WEIGHT: 633.80402
SMILES: CC1=CC(=C(C=C1C2CCN(CC2)CC(=O)N)OC(C)C)NC3=NC4=C(C(=CN4)C)C(=N3)NC5=CC=CC=C5S(=O)(=O)C(C)C
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Product OPENEYE NAME: 2-[2-fluoro-4-[2-[(1R,2S)-2-[1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole; 2,2,2-trifluoroacetic acid
CAS Name: 2-[2-fluoro-4-[2-[(1R,2S)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole; 2,2,2-trifluoroacetic acid
IUPAC NAME: 2-[2-fluoro-4-[2-[(1R,2S)-2-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole; 2,2,2-trifluoroacetic acid
SYSTEMATIC NAME: 2-[2-fluoranyl-4-[2-[(1R,2S)-2-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole; 2,2,2-tris(fluoranyl)ethanoic acid
MOLECULAR FORMULA: C27H27F7N4O4
MOLECULAR WEIGHT: 604.516502
SMILES: CC1=NN=C(O1)C2=C(C=C(C=C2)OCC[C@H]3C[C@H]3C4CCN(CC4)C5=NC=C(C=C5)C(F)(F)F)F.C(=O)(C(F)(F)F)O
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Product OPENEYE NAME: 2-[2-fluoro-4-[2-[(1R,2S)-2-[1-[5-(trifluoromethyl)-2-pyridyl]-4-piperidyl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
CAS Name: 2-[2-fluoro-4-[2-[(1R,2S)-2-[1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
IUPAC NAME: 2-[2-fluoro-4-[2-[(1R,2S)-2-[1-[5-(trifluoromethyl)pyridin-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-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C25H26F4N4O2
MOLECULAR WEIGHT: 490.493153
SMILES: CC1=NN=C(O1)C2=C(C=C(C=C2)OCC[C@H]3C[C@H]3C4CCN(CC4)C5=NC=C(C=C5)C(F)(F)F)F
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Product OPENEYE NAME: 2-[4-[2-[(1R,2S)-2-[1-(3,5-dichloro-2-pyridyl)-4-piperidyl]cyclopropyl]ethoxy]-2-fluoro-phenyl]-5-methyl-1,3,4-oxadiazole
CAS Name: 2-[4-[2-[(1R,2S)-2-[1-(3,5-dichloro-2-pyridinyl)-4-piperidinyl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole
IUPAC NAME: 2-[4-[2-[(1R,2S)-2-[1-(3,5-dichloropyridin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[4-[2-[(1R,2S)-2-[1-[3,5-bis(chloranyl)pyridin-2-yl]piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoranyl-phenyl]-5-methyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C24H25Cl2FN4O2
MOLECULAR WEIGHT: 491.385303
SMILES: CC1=NN=C(O1)C2=C(C=C(C=C2)OCC[C@H]3C[C@H]3C4CCN(CC4)C5=C(C=C(C=N5)Cl)Cl)F
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Product OPENEYE NAME: 5-chloro-2-[4-[(1S,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]-1-piperidyl]pyrimidine
CAS Name: 5-chloro-2-[4-[(1S,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]-1-piperidinyl]pyrimidine
IUPAC NAME: 5-chloro-2-[4-[(1S,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
SYSTEMATIC NAME: 5-chloranyl-2-[4-[(1S,2S)-2-[2-(4-methylsulfonylphenoxy)ethyl]cyclopropyl]piperidin-1-yl]pyrimidine
MOLECULAR FORMULA: C21H26ClN3O3S
MOLECULAR WEIGHT: 435.96744
SMILES: CS(=O)(=O)C1=CC=C(C=C1)OCC[C@@H]2C[C@H]2C3CCN(CC3)C4=NC=C(C=N4)Cl
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Product OPENEYE NAME: 5-chloro-2-[4-[(1S,2S)-2-[2-(4-pyridyloxy)ethyl]cyclopropyl]-1-piperidyl]pyrimidine
CAS Name: 5-chloro-2-[4-[(1S,2S)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]-1-piperidinyl]pyrimidine
IUPAC NAME: 5-chloro-2-[4-[(1S,2S)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine
SYSTEMATIC NAME: 5-chloranyl-2-[4-[(1S,2S)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine
MOLECULAR FORMULA: C19H23ClN4O
MOLECULAR WEIGHT: 358.86512
SMILES: C1CN(CCC1[C@@H]2C[C@H]2CCOC3=CC=NC=C3)C4=NC=C(C=N4)Cl
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Product OPENEYE NAME: 4-[2-[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)-4-piperidyl]cyclopropyl]ethoxy]-N-cyclopropyl-2-fluoro-benzamide
CAS Name: 4-[2-[(1R,2R)-2-[1-(5-chloro-2-pyrimidinyl)-4-piperidinyl]cyclopropyl]ethoxy]-N-cyclopropyl-2-fluorobenzamide
IUPAC NAME: 4-[2-[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-N-cyclopropyl-2-fluorobenzamide
SYSTEMATIC NAME: 4-[2-[(1R,2R)-2-[1-(5-chloranylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-N-cyclopropyl-2-fluoranyl-benzamide
MOLECULAR FORMULA: C24H28ClFN4O2
MOLECULAR WEIGHT: 458.956123
SMILES: C1CC1NC(=O)C2=C(C=C(C=C2)OCC[C@H]3C[C@@H]3C4CCN(CC4)C5=NC=C(C=N5)Cl)F
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Product OPENEYE NAME: 4-[2-[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)-4-piperidyl]cyclopropyl]ethoxy]-2-fluoro-benzonitrile
CAS Name: 4-[2-[(1R,2R)-2-[1-(5-chloro-2-pyrimidinyl)-4-piperidinyl]cyclopropyl]ethoxy]-2-fluorobenzonitrile
IUPAC NAME: 4-[2-[(1R,2R)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorobenzonitrile
SYSTEMATIC NAME: 4-[2-[(1R,2R)-2-[1-(5-chloranylpyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluoranyl-benzenecarbonitrile
MOLECULAR FORMULA: C21H22ClFN4O
MOLECULAR WEIGHT: 400.876983
SMILES: C1CN(CCC1[C@H]2C[C@@H]2CCOC3=CC(=C(C=C3)C#N)F)C4=NC=C(C=N4)Cl
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Product OPENEYE NAME: 4-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]-1,4-thiazinane 1,1-dioxide
CAS Name: 4-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]-1,4-thiazinane 1,1-dioxide
IUPAC NAME: 4-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]-1,4-thiazinane 1,1-dioxide
SYSTEMATIC NAME: 4-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]-1,4-thiazinane 1,1-dioxide
MOLECULAR FORMULA: C27H31N3O5S2
MOLECULAR WEIGHT: 541.68214
SMILES: CCS(=O)(=O)C1=CC=CC(=C1)C2=C3C4=CC(=CN=C4NC3=C(C=C2)OCCCN5CCS(=O)(=O)CC5)C
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Product OPENEYE NAME: 4-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]morpholine
CAS Name: 4-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]morpholine
IUPAC NAME: 4-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]morpholine
SYSTEMATIC NAME: 4-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]morpholine
MOLECULAR FORMULA: C27H31N3O4S
MOLECULAR WEIGHT: 493.61774
SMILES: CCS(=O)(=O)C1=CC=CC(=C1)C2=C3C4=CC(=CN=C4NC3=C(C=C2)OCCCN5CCOCC5)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]piperidin-4-ol
CAS Name: 1-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]-4-piperidinol
IUPAC NAME: 1-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]piperidin-4-ol
SYSTEMATIC NAME: 1-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]piperidin-4-ol
MOLECULAR FORMULA: C28H33N3O4S
MOLECULAR WEIGHT: 507.64432
SMILES: CCS(=O)(=O)C1=CC=CC(=C1)C2=C3C4=CC(=CN=C4NC3=C(C=C2)OCCCN5CCC(CC5)O)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]-4-piperidyl]methanol
CAS Name: [1-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]-4-piperidinyl]methanol
IUPAC NAME: [1-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]piperidin-4-yl]methanol
SYSTEMATIC NAME: [1-[3-[[5-(3-ethylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]piperidin-4-yl]methanol
MOLECULAR FORMULA: C29H35N3O4S
MOLECULAR WEIGHT: 521.6709
SMILES: CCS(=O)(=O)C1=CC=CC(=C1)C2=C3C4=CC(=CN=C4NC3=C(C=C2)OCCCN5CCC(CC5)CO)C
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Product OPENEYE NAME: [1-[3-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]-4-piperidyl]methanol
CAS Name: [1-[3-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]-4-piperidinyl]methanol
IUPAC NAME: [1-[3-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]piperidin-4-yl]methanol
SYSTEMATIC NAME: [1-[3-[[5-(3-cyclopropylsulfonylphenyl)-3-methyl-9H-pyrido[2,3-b]indol-8-yl]oxy]propyl]piperidin-4-yl]methanol
MOLECULAR FORMULA: C30H35N3O4S
MOLECULAR WEIGHT: 533.6816
SMILES: CC1=CN=C2C(=C1)C3=C(C=CC(=C3N2)OCCCN4CCC(CC4)CO)C5=CC(=CC=C5)S(=O)(=O)C6CC6
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