3-[4-[3-(aminomethyl)phenoxy]phenyl]-6-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-[4-[3-(aminomethyl)phenoxy]phenyl]-6-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-[4-[3-(aminomethyl)phenoxy]phenyl]-6-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-[4-[3-(aminomethyl)phenoxy]phenyl]-6-[4-(4-methyl-1-piperazinyl)cyclohexyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine IUPAC Name: 3-[4-[3-(aminomethyl)phenoxy]phenyl]-6-[4-(4-methylpiperazin-1-yl)cyclohexyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-[4-[3-(aminomethyl)phenoxy]phenyl]-6-[4-(4-methylpiperazino)cyclohexyl]-2H-pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C29H36N8O MolecularWeight: 512.64914

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)C3=NC4=NNC(=C4C(=N3)N)C5=CC=C(C=C5)OC6=CC=CC(=C6)CN

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)C3=NC4=NNC(=C4C(=N3)N)C5=CC=C(C=C5)OC6=CC=CC(=C6)CN

InChI

InChI=1S/C29H36N8O/c1-36-13-15-37(16-14-36)22-9-5-21(6-10-22)28-32-27(31)25-26(34-35-29(25)33-28)20-7-11-23(12-8-20)38-24-4-2-3-19(17-24)18-30/h2-4,7-8,11-12,17,21-22H,5-6,9-10,13-16,18,30H2,1H3,(H3,31,32,33,34,35)