1-(2-oxidanylidene-6-phenyl-hexan-3-yl)-6-[(4-pyridin-3-ylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2-oxidanylidene-6-phenyl-hexan-3-yl)-6-[(4-pyridin-3-ylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(1-acetyl-4-phenyl-butyl)-6-[[4-(3-pyridyl)phenyl]methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-oxo-6-phenylhexan-3-yl)-6-[[4-(3-pyridinyl)phenyl]methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-oxo-6-phenylhexan-3-yl)-6-[(4-pyridin-3-ylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(1-acetyl-4-phenyl-butyl)-6-[4-(3-pyridyl)benzyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C29H27N5O2 MolecularWeight: 477.55698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCC1=CC=CC=C1)N2C3=NC(=NC(=O)C3=CN2)CC4=CC=C(C=C4)C5=CN=CC=C5

Isomeric SMILES

CC(=O)C(CCCC1=CC=CC=C1)N2C3=NC(=NC(=O)C3=CN2)CC4=CC=C(C=C4)C5=CN=CC=C5

InChI

InChI=1S/C29H27N5O2/c1-20(35)26(11-5-9-21-7-3-2-4-8-21)34-28-25(19-31-34)29(36)33-27(32-28)17-22-12-14-23(15-13-22)24-10-6-16-30-18-24/h2-4,6-8,10,12-16,18-19,26,31H,5,9,11,17H2,1H3