3-(4-phenoxyphenyl)-1-(1-piperidin-4-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 3-(4-phenoxyphenyl)-1-(1-piperidin-4-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 3-(4-phenoxyphenyl)-1-[1-(4-piperidyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(4-phenoxyphenyl)-1-[1-(4-piperidinyl)-4-piperidinyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 3-(4-phenoxyphenyl)-1-(1-piperidin-4-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [3-(4-phenoxyphenyl)-1-[1-(4-piperidyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C27H31N7O MolecularWeight: 469.58134

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=NC=N4)N

Isomeric SMILES

C1CNCCC1N2CCC(CC2)N3C4=C(C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)C(=NC=N4)N

InChI

InChI=1S/C27H31N7O/c28-26-24-25(19-6-8-23(9-7-19)35-22-4-2-1-3-5-22)32-34(27(24)31-18-30-26)21-12-16-33(17-13-21)20-10-14-29-15-11-20/h1-9,18,20-21,29H,10-17H2,(H2,28,30,31)