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

Systemtic Name: 1-[4-[3-methyl-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-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-[3-methyl-6-(2-methylpropyl)-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-2-phenylmethoxyethanone IUPAC Name: 1-[4-[3-methyl-6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]-2-phenylmethoxyethanone Traditional Name: 2-benzoxy-1-[4-(6-isobutyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]ethanone Formula: C29H34N6O2 MolecularWeight: 498.61926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)CC(C)C)N3CCN(CC3)C(=O)COCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)CC(C)C)N3CCN(CC3)C(=O)COCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H34N6O2/c1-21(2)18-25-30-28(27-22(3)32-35(29(27)31-25)24-12-8-5-9-13-24)34-16-14-33(15-17-34)26(36)20-37-19-23-10-6-4-7-11-23/h4-13,21H,14-20H2,1-3H3