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

Systemtic Name: 6-[(4-methylphenyl)methyl]-1-(2-oxidanyl-6-phenyl-hexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-6-(p-tolylmethyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-hydroxy-6-phenylhexan-3-yl)-6-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-hydroxy-6-phenylhexan-3-yl)-6-[(4-methylphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-6-(4-methylbenzyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NC(=O)C3=CNN(C3=N2)C(CCCC4=CC=CC=C4)C(C)O

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC(=O)C3=CNN(C3=N2)C(CCCC4=CC=CC=C4)C(C)O

InChI

InChI=1S/C25H28N4O2/c1-17-11-13-20(14-12-17)15-23-27-24-21(25(31)28-23)16-26-29(24)22(18(2)30)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,11-14,16,18,22,26,30H,6,9-10,15H2,1-2H3