2-[(3,4-dimethoxyphenyl)methyl]-9-(2-oxidanylidene-6-phenyl-hexan-3-yl)-3H-purin-6-one

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-9-(2-oxidanylidene-6-phenyl-hexan-3-yl)-3H-purin-6-one Openeye Name: 9-(1-acetyl-4-phenyl-butyl)-2-[(3,4-dimethoxyphenyl)methyl]-3H-purin-6-one CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-9-(2-oxo-6-phenylhexan-3-yl)-3H-purin-6-one IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-9-(2-oxo-6-phenylhexan-3-yl)-3H-purin-6-one Traditional Name: 9-(1-acetyl-4-phenyl-butyl)-2-veratryl-3H-purin-6-one Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)CC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(=O)C(CCCC1=CC=CC=C1)N2C=NC3=C2NC(=NC3=O)CC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H28N4O4/c1-17(31)20(11-7-10-18-8-5-4-6-9-18)30-16-27-24-25(30)28-23(29-26(24)32)15-19-12-13-21(33-2)22(14-19)34-3/h4-6,8-9,12-14,16,20H,7,10-11,15H2,1-3H3,(H,28,29,32)