Monday, December 26, 2011

All Chemical Compounds Information




Product OPENEYE NAME: 6-[2-(1H-imidazol-5-yl)phenoxy]-N,4,4-trimethyl-hexanamide
CAS Name: 6-[2-(1H-imidazol-5-yl)phenoxy]-N,4,4-trimethylhexanamide
IUPAC NAME: 6-[2-(1H-imidazol-5-yl)phenoxy]-N,4,4-trimethylhexanamide
SYSTEMATIC NAME: 6-[2-(1H-imidazol-5-yl)phenoxy]-N,4,4-trimethyl-hexanamide
MOLECULAR FORMULA: C18H25N3O2
MOLECULAR WEIGHT: 315.41
SMILES: CC(C)(CCC(=O)NC)CCOC1=CC=CC=C1C2=CN=CN2
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Product OPENEYE NAME: 1-[5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]-8-quinolyl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
CAS Name: 1-[5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]-8-quinolinyl]-3-[3-(trifluoromethylthio)phenyl]urea
IUPAC NAME: 1-[5-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]quinolin-8-yl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
SYSTEMATIC NAME: 1-[5-[(2-oxidanylidene-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]quinolin-8-yl]-3-[3-(trifluoromethylsulfanyl)phenyl]urea
MOLECULAR FORMULA: C23H15F3N6O3S
MOLECULAR WEIGHT: 512.46381
SMILES: C1=CC(=CC(=C1)SC(F)(F)F)NC(=O)NC2=C3C(=C(C=C2)OC4=C5C(=NC=C4)NC(=O)N5)C=CC=N3
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Product OPENEYE NAME: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-8-quinolyl]urea
CAS Name: 1-(5-tert-butyl-2-phenyl-3-pyrazolyl)-3-[5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-8-quinolinyl]urea
IUPAC NAME: 1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]quinolin-8-yl]urea
SYSTEMATIC NAME: 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[5-[(3-methyl-2-oxidanylidene-1H-imidazo[4,5-b]pyridin-7-yl)oxy]quinolin-8-yl]urea
MOLECULAR FORMULA: C30H28N8O3
MOLECULAR WEIGHT: 548.59512
SMILES: CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C3C(=C(C=C2)OC4=C5C(=NC=C4)N(C(=O)N5)C)C=CC=N3)C6=CC=CC=C6
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Product OPENEYE NAME: 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-8-quinolyl]urea
CAS Name: 1-(5-tert-butyl-2-methyl-3-pyrazolyl)-3-[5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-8-quinolinyl]urea
IUPAC NAME: 1-(5-tert-butyl-2-methylpyrazol-3-yl)-3-[5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]quinolin-8-yl]urea
SYSTEMATIC NAME: 1-(5-tert-butyl-2-methyl-pyrazol-3-yl)-3-[5-[(3-methyl-2-oxidanylidene-1H-imidazo[4,5-b]pyridin-7-yl)oxy]quinolin-8-yl]urea
MOLECULAR FORMULA: C25H26N8O3
MOLECULAR WEIGHT: 486.52574
SMILES: CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C3C(=C(C=C2)OC4=C5C(=NC=C4)N(C(=O)N5)C)C=CC=N3)C
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Product OPENEYE NAME: 1-(3-tert-butylphenyl)-3-[5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-8-quinolyl]urea
CAS Name: 1-(3-tert-butylphenyl)-3-[5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]-8-quinolinyl]urea
IUPAC NAME: 1-(3-tert-butylphenyl)-3-[5-[(3-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-7-yl)oxy]quinolin-8-yl]urea
SYSTEMATIC NAME: 1-(3-tert-butylphenyl)-3-[5-[(3-methyl-2-oxidanylidene-1H-imidazo[4,5-b]pyridin-7-yl)oxy]quinolin-8-yl]urea
MOLECULAR FORMULA: C27H26N6O3
MOLECULAR WEIGHT: 482.53374
SMILES: CC(C)(C)C1=CC(=CC=C1)NC(=O)NC2=C3C(=C(C=C2)OC4=C5C(=NC=C4)N(C(=O)N5)C)C=CC=N3
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Product OPENEYE NAME: 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[5-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-8-quinolyl]urea
CAS Name: 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[5-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]-8-quinolinyl]urea
IUPAC NAME: 1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[5-[(2-methyl-3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]quinolin-8-yl]urea
SYSTEMATIC NAME: 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[5-[(2-methyl-3-oxidanylidene-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]quinolin-8-yl]urea
MOLECULAR FORMULA: C25H16F4N6O3
MOLECULAR WEIGHT: 524.426553
SMILES: CC1=NC2=C(C=CN=C2NC1=O)OC3=C4C=CC=NC4=C(C=C3)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F
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Product OPENEYE NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-propoxy-phenyl]vinyl]-6-[4-(trifluoromethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-propoxyphenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-propoxyphenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-[2-(cyclopropylmethoxy)-3-propoxy-phenyl]ethenyl]-6-[4-(trifluoromethyloxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C28H25F3N2O4S
MOLECULAR WEIGHT: 542.56931
SMILES: CCCOC1=CC=CC(=C1OCC2CC2)/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: 7-[(E)-2-[2-(cyclobutylmethoxy)-3-methoxy-phenyl]vinyl]-6-[4-(trifluoromethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-[2-(cyclobutylmethoxy)-3-methoxyphenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-[2-(cyclobutylmethoxy)-3-methoxyphenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-[2-(cyclobutylmethoxy)-3-methoxy-phenyl]ethenyl]-6-[4-(trifluoromethyloxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C27H23F3N2O4S
MOLECULAR WEIGHT: 528.54273
SMILES: COC1=CC=CC(=C1OCC2CCC2)/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: 7-[(E)-2-[2-(cyclopentoxy)-3-methoxy-phenyl]vinyl]-6-[4-(trifluoromethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-6-[4-(trifluoromethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-(2-cyclopentyloxy-3-methoxy-phenyl)ethenyl]-6-[4-(trifluoromethyloxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C27H23F3N2O4S
MOLECULAR WEIGHT: 528.54273
SMILES: COC1=CC=CC(=C1OC2CCCC2)/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: 7-[(E)-2-(2-hydroxy-3-methoxy-phenyl)vinyl]-6-[4-(trifluoromethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-6-[4-(trifluoromethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-(2-hydroxy-3-methoxyphenyl)ethenyl]-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-(3-methoxy-2-oxidanyl-phenyl)ethenyl]-6-[4-(trifluoromethyloxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C22H15F3N2O4S
MOLECULAR WEIGHT: 460.42571
SMILES: COC1=CC=CC(=C1O)/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-[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]vinyl]-6-[4-(trifluoromethoxy)phenyl]thiazolo[3,2-a]pyrimidin-5-one
CAS Name: 7-[(E)-2-[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-5-thiazolo[3,2-a]pyrimidinone
IUPAC NAME: 7-[(E)-2-[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]ethenyl]-6-[4-(trifluoromethoxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SYSTEMATIC NAME: 7-[(E)-2-[3-methoxy-2-[3,3,3-tris(fluoranyl)propoxy]phenyl]ethenyl]-6-[4-(trifluoromethyloxy)phenyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
MOLECULAR FORMULA: C25H18F6N2O4S
MOLECULAR WEIGHT: 556.476839
SMILES: COC1=CC=CC(=C1OCCC(F)(F)F)/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: (3S)-1-[2-(4-piperazin-1-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
CAS Name: (3S)-1-[2-[4-(1-piperazinyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3-pyrrolidinol
IUPAC NAME: (3S)-1-[2-(4-piperazin-1-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
SYSTEMATIC NAME: (3S)-1-[2-[(4-piperazin-1-ylphenyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-ol
MOLECULAR FORMULA: C20H25N7O
MOLECULAR WEIGHT: 379.4588
SMILES: C1CN(C[C@H]1O)C2=NC(=NC3=C2C=CN3)NC4=CC=C(C=C4)N5CCNCC5
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Product OPENEYE NAME: 1-[4-[4-[[4-[(3S)-3-hydroxypyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
CAS Name: 1-[4-[4-[[4-[(3S)-3-hydroxy-1-pyrrolidinyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-1-piperazinyl]ethanone
IUPAC NAME: 1-[4-[4-[[4-[(3S)-3-hydroxypyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[4-[[4-[(3S)-3-oxidanylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone
MOLECULAR FORMULA: C22H27N7O2
MOLECULAR WEIGHT: 421.49548
SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)N5CC[C@@H](C5)O
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Product OPENEYE NAME: N-(4-piperazin-1-ylphenyl)-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CAS Name: N-[4-(1-piperazinyl)phenyl]-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
IUPAC NAME: N-(4-piperazin-1-ylphenyl)-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SYSTEMATIC NAME: N-(4-piperazin-1-ylphenyl)-4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
MOLECULAR FORMULA: C20H25N7
MOLECULAR WEIGHT: 363.4594
SMILES: C1CCN(C1)C2=NC(=NC3=C2C=CN3)NC4=CC=C(C=C4)N5CCNCC5
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Product OPENEYE NAME: 1-[4-[4-[(4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CAS Name: 1-[4-[4-[[4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-1-piperazinyl]ethanone
IUPAC NAME: 1-[4-[4-[(4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
SYSTEMATIC NAME: 1-[4-[4-[(4-pyrrolidin-1-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
MOLECULAR FORMULA: C22H27N7O
MOLECULAR WEIGHT: 405.49608
SMILES: CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)N5CCCC5
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Product OPENEYE NAME: 1-[2-(4-piperazin-1-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
CAS Name: 1-[2-[4-(1-piperazinyl)anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-4-piperidinecarboxamide
IUPAC NAME: 1-[2-(4-piperazin-1-ylanilino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
SYSTEMATIC NAME: 1-[2-[(4-piperazin-1-ylphenyl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidine-4-carboxamide
MOLECULAR FORMULA: C22H28N8O
MOLECULAR WEIGHT: 420.51072
SMILES: C1CN(CCC1C(=O)N)C2=NC(=NC3=C2C=CN3)NC4=CC=C(C=C4)N5CCNCC5
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Product OPENEYE NAME: 1-[4-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]sulfonylpiperidin-4-ol
CAS Name: 1-[4-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]sulfonyl-4-piperidinol
IUPAC NAME: 1-[4-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]sulfonylpiperidin-4-ol
SYSTEMATIC NAME: 1-[4-[[4-(cyclobutylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]sulfonylpiperidin-4-ol
MOLECULAR FORMULA: C21H26N6O3S
MOLECULAR WEIGHT: 442.53454
SMILES: C1CC(C1)NC2=NC(=NC3=C2C=CN3)NC4=CC=C(C=C4)S(=O)(=O)N5CCC(CC5)O
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Product OPENEYE NAME: 3-chloro-N-[6-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-1,3-benzothiazol-2-yl]benzamide
CAS Name: 3-chloro-N-[6-[[6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-4-quinazolinyl]amino]-1,3-benzothiazol-2-yl]benzamide
IUPAC NAME: 3-chloro-N-[6-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-1,3-benzothiazol-2-yl]benzamide
SYSTEMATIC NAME: 3-chloranyl-N-[6-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-1,3-benzothiazol-2-yl]benzamide
MOLECULAR FORMULA: C31H32ClN7O3S
MOLECULAR WEIGHT: 618.14888
SMILES: CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC5=C(C=C4)N=C(S5)NC(=O)C6=CC(=CC=C6)Cl)OC
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Product OPENEYE NAME: 3-chloro-N-[5-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-1,3-benzothiazol-2-yl]benzamide
CAS Name: 3-chloro-N-[5-[[6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-4-quinazolinyl]amino]-1,3-benzothiazol-2-yl]benzamide
IUPAC NAME: 3-chloro-N-[5-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-1,3-benzothiazol-2-yl]benzamide
SYSTEMATIC NAME: 3-chloranyl-N-[5-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-1,3-benzothiazol-2-yl]benzamide
MOLECULAR FORMULA: C31H32ClN7O3S
MOLECULAR WEIGHT: 618.14888
SMILES: CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC5=C(C=C4)SC(=N5)NC(=O)C6=CC(=CC=C6)Cl)OC
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Product OPENEYE NAME: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-1,3-benzothiazol-2-yl]urea
CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-[[6-methoxy-7-[3-(4-methyl-1-piperazinyl)propoxy]-4-quinazolinyl]amino]-1,3-benzothiazol-2-yl]urea
IUPAC NAME: 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[5-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-1,3-benzothiazol-2-yl]urea
SYSTEMATIC NAME: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[5-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-1,3-benzothiazol-2-yl]urea
MOLECULAR FORMULA: C32H32ClF3N8O3S
MOLECULAR WEIGHT: 701.16149
SMILES: CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC5=C(C=C4)SC(=N5)NC(=O)NC6=CC(=C(C=C6)Cl)C(F)(F)F)OC
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