3,7-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione CAS Name: 3,7-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-8-[4-(trifluoromethyl)phenyl]xanthine Formula: C14H11F3N4O2 MolecularWeight: 324.25795

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)C(F)(F)F)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)C(F)(F)F)N(C(=O)NC2=O)C

InChI

InChI=1S/C14H11F3N4O2/c1-20-9-11(21(2)13(23)19-12(9)22)18-10(20)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3,(H,19,22,23)