1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(2-phenoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(2-phenoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(2-phenoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-3-(2-phenoxy-5-pyrimidinyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(2-phenoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-[4-(4-methylpiperazino)cyclohexyl]-3-(2-phenoxypyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C26H31N9O MolecularWeight: 485.58404

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CN=C(N=C5)OC6=CC=CC=C6)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CN=C(N=C5)OC6=CC=CC=C6)C(=NC=N4)N

InChI

InChI=1S/C26H31N9O/c1-33-11-13-34(14-12-33)19-7-9-20(10-8-19)35-25-22(24(27)30-17-31-25)23(32-35)18-15-28-26(29-16-18)36-21-5-3-2-4-6-21/h2-6,15-17,19-20H,7-14H2,1H3,(H2,27,30,31)