1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-9H-purine-2,6,8-trione

Systemtic Name: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-9H-purine-2,6,8-trione Openeye Name: 1,3-dimethyl-7-[2-oxo-2-(p-tolyl)ethyl]-9H-purine-2,6,8-trione CAS Name: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-9H-purine-2,6,8-trione IUPAC Name: 1,3-dimethyl-7-[2-(4-methylphenyl)-2-oxoethyl]-9H-purine-2,6,8-trione Traditional Name: 7-[2-keto-2-(p-tolyl)ethyl]-1,3-dimethyl-9H-purine-2,6,8-trione Formula: C16H16N4O4 MolecularWeight: 328.32264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C3=C(NC2=O)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C3=C(NC2=O)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C16H16N4O4/c1-9-4-6-10(7-5-9)11(21)8-20-12-13(17-15(20)23)18(2)16(24)19(3)14(12)22/h4-7H,8H2,1-3H3,(H,17,23)