1,3-dimethyl-8-[[4-(4-methylphenyl)carbonylphenyl]methyl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[4-(4-methylphenyl)carbonylphenyl]methyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[[4-(4-methylbenzoyl)phenyl]methyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[4-[(4-methylphenyl)-oxomethyl]phenyl]methyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[[4-(4-methylbenzoyl)phenyl]methyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(4-p-toluoylbenzyl)-7H-purine-2,6-quinone Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C22H20N4O3/c1-13-4-8-15(9-5-13)19(27)16-10-6-14(7-11-16)12-17-23-18-20(24-17)25(2)22(29)26(3)21(18)28/h4-11H,12H2,1-3H3,(H,23,24)