(3-methylphenyl)-[4-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C23H22N6O/c1-17-6-5-7-18(14-17)23(30)28-12-10-27(11-13-28)21-20-15-26-29(22(20)25-16-24-21)19-8-3-2-4-9-19/h2-9,14-16H,10-13H2,1H3