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

Systemtic Name: 1-[4-[6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylmethoxy-ethanone Openeye Name: 2-benzyloxy-1-[4-(6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-[6-(2-methylpropyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-2-phenylmethoxyethanone IUPAC Name: 1-[4-[6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[4-(6-isobutyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]ethanone Formula: C28H32N6O2 MolecularWeight: 484.59268

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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)COCC5=CC=CC=C5

Isomeric SMILES

CC(C)CC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N4CCN(CC4)C(=O)COCC5=CC=CC=C5

InChI

InChI=1S/C28H32N6O2/c1-21(2)17-25-30-27(24-18-29-34(28(24)31-25)23-11-7-4-8-12-23)33-15-13-32(14-16-33)26(35)20-36-19-22-9-5-3-6-10-22/h3-12,18,21H,13-17,19-20H2,1-2H3