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

Systemtic Name: 3-[4-[2-(aminomethyl)phenoxy]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-[4-[2-(aminomethyl)phenoxy]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-[4-[2-(aminomethyl)phenoxy]phenyl]-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-[4-[2-(aminomethyl)phenoxy]phenyl]-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-[4-[2-(aminomethyl)phenoxy]phenyl]-1-[4-(4-methylpiperazino)cyclohexyl]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)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6CN)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6CN)C(=NC=N4)N

InChI

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