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

Systemtic Name: 6-[(3-methoxyphenyl)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-[(3-methoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-hydroxy-6-phenylhexan-3-yl)-6-[(3-methoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-hydroxy-6-phenylhexan-3-yl)-6-[(3-methoxyphenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-6-m-anisyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3/c1-17(30)22(13-7-10-18-8-4-3-5-9-18)29-24-21(16-26-29)25(31)28-23(27-24)15-19-11-6-12-20(14-19)32-2/h3-6,8-9,11-12,14,16-17,22,26,30H,7,10,13,15H2,1-2H3