3-(4-aminophenyl)-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-(4-aminophenyl)-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(4-aminophenyl)-1-[1-(1-methyl-4-piperidyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(4-aminophenyl)-1-[1-(1-methyl-4-piperidinyl)-4-piperidinyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-(4-aminophenyl)-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [4-[4-amino-1-[1-(1-methyl-4-piperidyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]amine Formula: C22H30N8 MolecularWeight: 406.5272

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)N)C(=NC=N4)N

Isomeric SMILES

CN1CCC(CC1)N2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)N)C(=NC=N4)N

InChI

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