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

Systemtic Name: 1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]xanthine Formula: C15H13F3N4O2 MolecularWeight: 338.28453

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C15H13F3N4O2/c1-20-12-11(13(23)21(2)14(20)24)22(8-19-12)7-9-4-3-5-10(6-9)15(16,17)18/h3-6,8H,7H2,1-2H3