[4-[6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-phenyl-methanone

Systemtic Name: [4-[6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-[6-(2-methylpropyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-[6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-phenylmethanone Traditional Name: [4-(6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-phenyl-methanone Formula: C26H28N6O MolecularWeight: 440.54012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H28N6O/c1-19(2)17-23-28-24(22-18-27-32(25(22)29-23)21-11-7-4-8-12-21)30-13-15-31(16-14-30)26(33)20-9-5-3-6-10-20/h3-12,18-19H,13-17H2,1-2H3