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

Systemtic Name: 3-(2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-dione Openeye Name: 3-(o-tolyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-dione CAS Name: 3-(2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-dione IUPAC Name: 3-(2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-7H-purine-2,6-dione Traditional Name: 3-(o-tolyl)-1-[2-(trifluoromethyl)benzyl]-7H-purine-2,6-quinone Formula: C20H15F3N4O2 MolecularWeight: 400.35391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4C(F)(F)F)NC=N3

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4C(F)(F)F)NC=N3

InChI

InChI=1S/C20H15F3N4O2/c1-12-6-2-5-9-15(12)27-17-16(24-11-25-17)18(28)26(19(27)29)10-13-7-3-4-8-14(13)20(21,22)23/h2-9,11H,10H2,1H3,(H,24,25)