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

Systemtic Name: 3-(3-methylphenyl)-1-phenethyl-7H-purine-2,6-dione Openeye Name: 3-(m-tolyl)-1-phenethyl-7H-purine-2,6-dione CAS Name: 3-(3-methylphenyl)-1-phenethyl-7H-purine-2,6-dione IUPAC Name: 3-(3-methylphenyl)-1-phenethyl-7H-purine-2,6-dione Traditional Name: 3-(m-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=C1)N2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)NC=N3

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C(=O)N(C2=O)CCC4=CC=CC=C4)NC=N3

InChI

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