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

Systemtic Name: cyclobutyl-[4-[1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-cyclobutyl-methanone CAS Name: cyclobutyl-[4-[1-phenyl-6-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: [4-(6-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-cyclobutylmethanone Traditional Name: [4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-cyclobutyl-methanone Formula: C27H28N6O MolecularWeight: 452.55082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)N2CCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)CC6=CC=CC=C6

Isomeric SMILES

C1CC(C1)C(=O)N2CCN(CC2)C3=NC(=NC4=C3C=NN4C5=CC=CC=C5)CC6=CC=CC=C6

InChI

InChI=1S/C27H28N6O/c34-27(21-10-7-11-21)32-16-14-31(15-17-32)25-23-19-28-33(22-12-5-2-6-13-22)26(23)30-24(29-25)18-20-8-3-1-4-9-20/h1-6,8-9,12-13,19,21H,7,10-11,14-18H2