1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(4-benzyloxyphenyl)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-3-(4-phenylmethoxyphenyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(4-benzoxyphenyl)-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C29H35N7O MolecularWeight: 497.6345

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OCC6=CC=CC=C6)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OCC6=CC=CC=C6)C(=NC=N4)N

InChI

InChI=1S/C29H35N7O/c1-34-15-17-35(18-16-34)23-9-11-24(12-10-23)36-29-26(28(30)31-20-32-29)27(33-36)22-7-13-25(14-8-22)37-19-21-5-3-2-4-6-21/h2-8,13-14,20,23-24H,9-12,15-19H2,1H3,(H2,30,31,32)