3-(4-methylphenyl)-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-(4-methylphenyl)-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-7-[2-oxo-2-(p-tolyl)ethyl]-3-(p-tolyl)purine-2,6-dione CAS Name: 3-(4-methylphenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-3-(4-methylphenyl)-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 1-benzyl-7-[2-keto-2-(p-tolyl)ethyl]-3-(p-tolyl)xanthine Formula: C28H24N4O3 MolecularWeight: 464.51516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=C(C=C4)C)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C4=CC=C(C=C4)C)CC5=CC=CC=C5

InChI

InChI=1S/C28H24N4O3/c1-19-8-12-22(13-9-19)24(33)17-30-18-29-26-25(30)27(34)31(16-21-6-4-3-5-7-21)28(35)32(26)23-14-10-20(2)11-15-23/h3-15,18H,16-17H2,1-2H3