8-methyl-7-[4-(trifluoromethyloxy)phenyl]-3H-purine-2,6-dione

Systemtic Name: 8-methyl-7-[4-(trifluoromethyloxy)phenyl]-3H-purine-2,6-dione Openeye Name: 8-methyl-7-[4-(trifluoromethoxy)phenyl]-3H-purine-2,6-dione CAS Name: 8-methyl-7-[4-(trifluoromethoxy)phenyl]-3H-purine-2,6-dione IUPAC Name: 8-methyl-7-[4-(trifluoromethoxy)phenyl]-3H-purine-2,6-dione Traditional Name: 8-methyl-7-[4-(trifluoromethoxy)phenyl]xanthine Formula: C13H9F3N4O3 MolecularWeight: 326.23077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=C(C=C3)OC(F)(F)F)C(=O)NC(=O)N2

Isomeric SMILES

CC1=NC2=C(N1C3=CC=C(C=C3)OC(F)(F)F)C(=O)NC(=O)N2

InChI

InChI=1S/C13H9F3N4O3/c1-6-17-10-9(11(21)19-12(22)18-10)20(6)7-2-4-8(5-3-7)23-13(14,15)16/h2-5H,1H3,(H2,18,19,21,22)