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

Systemtic Name: 3-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-7H-purine-2,6-dione Openeye Name: 3-(m-tolyl)-1-(p-tolylmethyl)-7H-purine-2,6-dione CAS Name: 3-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-7H-purine-2,6-dione IUPAC Name: 3-(3-methylphenyl)-1-[(4-methylphenyl)methyl]-7H-purine-2,6-dione Traditional Name: 1-(4-methylbenzyl)-3-(m-tolyl)-7H-purine-2,6-quinone Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC(=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=CN3)N(C2=O)C4=CC=CC(=C4)C

InChI

InChI=1S/C20H18N4O2/c1-13-6-8-15(9-7-13)11-23-19(25)17-18(22-12-21-17)24(20(23)26)16-5-3-4-14(2)10-16/h3-10,12H,11H2,1-2H3,(H,21,22)