3-methyl-1-[4-[1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 3-methyl-1-[4-[1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 3-methyl-1-[4-[1-phenyl-6-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-(6-benzyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(6-benzyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]-3-methyl-butan-1-one Formula: C27H30N6O MolecularWeight: 454.5667

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C2=NC(=NC3=C2C=NN3C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H30N6O/c1-20(2)17-25(34)31-13-15-32(16-14-31)26-23-19-28-33(22-11-7-4-8-12-22)27(23)30-24(29-26)18-21-9-5-3-6-10-21/h3-12,19-20H,13-18H2,1-2H3