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

Systemtic Name: 3-(3-aminophenyl)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(3-aminophenyl)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(3-aminophenyl)-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-(3-aminophenyl)-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-[4-amino-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]amine Formula: C22H30N8 MolecularWeight: 406.5272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N8/c1-28-9-11-29(12-10-28)17-5-7-18(8-6-17)30-22-19(21(24)25-14-26-22)20(27-30)15-3-2-4-16(23)13-15/h2-4,13-14,17-18H,5-12,23H2,1H3,(H2,24,25,26)