1-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoranyl-phenyl]-3-[3,5-bis(trifluoromethyl)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-[3,5-bis(trifluoromethyl)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-[3,5-bis(trifluoromethyl)phenyl]urea CAS Name: 1-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-fluorophenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea IUPAC Name: 1-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea Traditional Name: 1-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluoro-phenyl]-3-[3,5-bis(trifluoromethyl)phenyl]urea Formula: C32H33F7N8O MolecularWeight: 678.646242

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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=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)F

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NC(=O)NC6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F)F

InChI

InChI=1S/C32H33F7N8O/c1-45-8-10-46(11-9-45)22-3-5-23(6-4-22)47-16-24(27-28(40)41-17-42-29(27)47)18-2-7-26(25(33)12-18)44-30(48)43-21-14-19(31(34,35)36)13-20(15-21)32(37,38)39/h2,7,12-17,22-23H,3-6,8-11H2,1H3,(H2,40,41,42)(H2,43,44,48)