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

Systemtic Name: 3-(4-methylphenyl)-7-[(2-methylphenyl)methyl]-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-7-(o-tolylmethyl)-3-(p-tolyl)purine-2,6-dione CAS Name: 3-(4-methylphenyl)-7-[(2-methylphenyl)methyl]-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-3-(4-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 1-benzyl-7-(2-methylbenzyl)-3-(p-tolyl)xanthine Formula: C27H24N4O2 MolecularWeight: 436.50506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)N(C=N3)CC5=CC=CC=C5C

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)N(C=N3)CC5=CC=CC=C5C

InChI

InChI=1S/C27H24N4O2/c1-19-12-14-23(15-13-19)31-25-24(29(18-28-25)17-22-11-7-6-8-20(22)2)26(32)30(27(31)33)16-21-9-4-3-5-10-21/h3-15,18H,16-17H2,1-2H3