8-(4-ethoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(4-ethoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-(4-ethoxyphenyl)-7-methyl-purine-2,6-dione CAS Name: 8-(4-ethoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-(4-ethoxyphenyl)-7-methylpurine-2,6-dione Traditional Name: 3-benzyl-7-methyl-8-p-phenetyl-xanthine Formula: C21H20N4O3 MolecularWeight: 376.4085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(N2C)C(=O)NC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(N2C)C(=O)NC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3/c1-3-28-16-11-9-15(10-12-16)18-22-19-17(24(18)2)20(26)23-21(27)25(19)13-14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,23,26,27)