phenyl-[4-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: phenyl-[4-[1-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenyl-methanone CAS Name: phenyl-[4-[1-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: [4-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(1-benzylpyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-phenyl-methanone Formula: C23H22N6O MolecularWeight: 398.46038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2C=NN3CC4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2C=NN3CC4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H22N6O/c30-23(19-9-5-2-6-10-19)28-13-11-27(12-14-28)21-20-15-26-29(22(20)25-17-24-21)16-18-7-3-1-4-8-18/h1-10,15,17H,11-14,16H2