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

Systemtic Name: 1-[4-[3-methyl-1-phenyl-6-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-(6-benzyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[3-methyl-1-phenyl-6-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-(6-benzyl-3-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-(6-benzyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]hexan-1-one Formula: C29H34N6O MolecularWeight: 482.61986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N6O/c1-3-4-7-16-26(36)33-17-19-34(20-18-33)28-27-22(2)32-35(24-14-10-6-11-15-24)29(27)31-25(30-28)21-23-12-8-5-9-13-23/h5-6,8-15H,3-4,7,16-21H2,1-2H3