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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CN2C(=O)C3=C(N=CN3CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5

InChI

InChI=1S/C28H24N4O3/c1-20-12-14-23(15-13-20)24(33)18-32-27(34)25-26(29-19-30(25)16-21-8-4-2-5-9-21)31(28(32)35)17-22-10-6-3-7-11-22/h2-15,19H,16-18H2,1H3