6-[(3,4-dimethoxyphenyl)methyl]-1-(5-phenylpentan-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(3,4-dimethoxyphenyl)methyl]-1-(5-phenylpentan-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(3,4-dimethoxyphenyl)methyl]-1-(1-methyl-4-phenyl-butyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3,4-dimethoxyphenyl)methyl]-1-(5-phenylpentan-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(3,4-dimethoxyphenyl)methyl]-1-(5-phenylpentan-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(1-methyl-4-phenyl-butyl)-6-veratryl-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3/c1-17(8-7-11-18-9-5-4-6-10-18)29-24-20(16-26-29)25(30)28-23(27-24)15-19-12-13-21(31-2)22(14-19)32-3/h4-6,9-10,12-14,16-17,26H,7-8,11,15H2,1-3H3