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

Systemtic Name: 3-(4-azanyl-3-methoxy-phenyl)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(4-amino-3-methoxy-phenyl)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(4-amino-3-methoxyphenyl)-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-(4-amino-3-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(4-amino-3-methoxy-phenyl)-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C23H32N8O MolecularWeight: 436.55318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N8O/c1-29-9-11-30(12-10-29)16-4-6-17(7-5-16)31-23-20(22(25)26-14-27-23)21(28-31)15-3-8-18(24)19(13-15)32-2/h3,8,13-14,16-17H,4-7,9-12,24H2,1-2H3,(H2,25,26,27)