2-(3,5-dimethoxyphenyl)-7-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-(3,5-dimethoxyphenyl)-7-(phenylmethyl)-3H-purin-6-one Openeye Name: 7-benzyl-2-(3,5-dimethoxyphenyl)-3H-purin-6-one CAS Name: 2-(3,5-dimethoxyphenyl)-7-(phenylmethyl)-3H-purin-6-one IUPAC Name: 7-benzyl-2-(3,5-dimethoxyphenyl)-3H-purin-6-one Traditional Name: 7-benzyl-2-(3,5-dimethoxyphenyl)-3H-purin-6-one Formula: C20H18N4O3 MolecularWeight: 362.38192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC(=O)C3=C(N2)N=CN3CC4=CC=CC=C4)OC

InChI

InChI=1S/C20H18N4O3/c1-26-15-8-14(9-16(10-15)27-2)18-22-19-17(20(25)23-18)24(12-21-19)11-13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3,(H,22,23,25)