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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N6O/c1-3-10-24(34)31-15-17-32(18-16-31)26-25-20(2)30-33(22-13-8-5-9-14-22)27(25)29-23(28-26)19-21-11-6-4-7-12-21/h4-9,11-14H,3,10,15-19H2,1-2H3