3-[4-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methylamino]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-[4-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methylamino]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-[4-[[2-fluoro-6-(trifluoromethyl)phenyl]methylamino]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-[4-[[2-fluoro-6-(trifluoromethyl)phenyl]methylamino]phenyl]-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-[4-[[2-fluoro-6-(trifluoromethyl)phenyl]methylamino]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [4-[4-amino-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]-[2-fluoro-6-(trifluoromethyl)benzyl]amine Formula: C30H34F4N8 MolecularWeight: 582.638173

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)NCC6=C(C=CC=C6F)C(F)(F)F)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)NCC6=C(C=CC=C6F)C(F)(F)F)C(=NC=N4)N

InChI

InChI=1S/C30H34F4N8/c1-40-13-15-41(16-14-40)21-9-11-22(12-10-21)42-29-26(28(35)37-18-38-29)27(39-42)19-5-7-20(8-6-19)36-17-23-24(30(32,33)34)3-2-4-25(23)31/h2-8,18,21-22,36H,9-17H2,1H3,(H2,35,37,38)