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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=NC=CC=N6)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=NC=CC=N6)C(=NC=N4)N

InChI

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