3-(2-methylphenyl)-1-phenethyl-7H-purine-2,6-dione

Systemtic Name: 3-(2-methylphenyl)-1-phenethyl-7H-purine-2,6-dione Openeye Name: 3-(o-tolyl)-1-phenethyl-7H-purine-2,6-dione CAS Name: 3-(2-methylphenyl)-1-phenethyl-7H-purine-2,6-dione IUPAC Name: 3-(2-methylphenyl)-1-phenethyl-7H-purine-2,6-dione Traditional Name: 3-(o-tolyl)-1-phenethyl-7H-purine-2,6-quinone Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)NC=N3

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)NC=N3

InChI

InChI=1S/C20H18N4O2/c1-14-7-5-6-10-16(14)24-18-17(21-13-22-18)19(25)23(20(24)26)12-11-15-8-3-2-4-9-15/h2-10,13H,11-12H2,1H3,(H,21,22)