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

Systemtic Name: 3-[4-[(2,6-dimethoxyphenyl)methylamino]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-[4-[(2,6-dimethoxyphenyl)methylamino]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-[4-[(2,6-dimethoxyphenyl)methylamino]phenyl]-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-[4-[(2,6-dimethoxyphenyl)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]-(2,6-dimethoxybenzyl)amine Formula: C31H40N8O2 MolecularWeight: 556.7017

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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=C6OC)OC)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)NCC6=C(C=CC=C6OC)OC)C(=NC=N4)N

InChI

InChI=1S/C31H40N8O2/c1-37-15-17-38(18-16-37)23-11-13-24(14-12-23)39-31-28(30(32)34-20-35-31)29(36-39)21-7-9-22(10-8-21)33-19-25-26(40-2)5-4-6-27(25)41-3/h4-10,20,23-24,33H,11-19H2,1-3H3,(H2,32,34,35)