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

Systemtic Name: 6-[(3,4-dimethoxyphenyl)methyl]-1-(2-oxidanyl-6-phenyl-hexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(3,4-dimethoxyphenyl)methyl]-1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3,4-dimethoxyphenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(3,4-dimethoxyphenyl)methyl]-1-(2-hydroxy-6-phenylhexan-3-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-[1-(1-hydroxyethyl)-4-phenyl-butyl]-6-veratryl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C26H30N4O4 MolecularWeight: 462.5408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O4/c1-17(31)21(11-7-10-18-8-5-4-6-9-18)30-25-20(16-27-30)26(32)29-24(28-25)15-19-12-13-22(33-2)23(14-19)34-3/h4-6,8-9,12-14,16-17,21,27,31H,7,10-11,15H2,1-3H3