1-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-3-[2,4,6-tris(chloranyl)phenyl]urea

Systemtic Name: 1-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-3-[2,4,6-tris(chloranyl)phenyl]urea Openeye Name: 1-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-3-(2,4,6-trichlorophenyl)urea CAS Name: 1-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-fluorophenyl]-3-(2,4,6-trichlorophenyl)urea IUPAC Name: 1-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenyl]-3-(2,4,6-trichlorophenyl)urea Traditional Name: 1-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-3-(2,4,6-trichlorophenyl)urea Formula: C30H32Cl3FN8O MolecularWeight: 645.985483

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NC(=O)NC6=C(C=C(C=C6Cl)Cl)Cl)F

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NC(=O)NC6=C(C=C(C=C6Cl)Cl)Cl)F

InChI

InChI=1S/C30H32Cl3FN8O/c1-40-8-10-41(11-9-40)19-3-5-20(6-4-19)42-15-21(26-28(35)36-16-37-29(26)42)17-2-7-25(24(34)12-17)38-30(43)39-27-22(32)13-18(31)14-23(27)33/h2,7,12-16,19-20H,3-6,8-11H2,1H3,(H2,35,36,37)(H2,38,39,43)