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

Systemtic Name: 3-(4-phenoxyphenyl)-1-[1-(phenylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: 1-(1-benzyl-4-piperidyl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 3-(4-phenoxyphenyl)-1-[1-(phenylmethyl)-4-piperidinyl]-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: [1-(1-benzyl-4-piperidyl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C29H28N6O MolecularWeight: 476.57222

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N)CC6=CC=CC=C6

Isomeric SMILES

C1CN(CCC1N2C3=C(C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=NC=N3)N)CC6=CC=CC=C6

InChI

InChI=1S/C29H28N6O/c30-28-26-27(22-11-13-25(14-12-22)36-24-9-5-2-6-10-24)33-35(29(26)32-20-31-28)23-15-17-34(18-16-23)19-21-7-3-1-4-8-21/h1-14,20,23H,15-19H2,(H2,30,31,32)