1,3,7-trimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione

Systemtic Name: 1,3,7-trimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione Openeye Name: 1,3,7-trimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione CAS Name: 1,3,7-trimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione IUPAC Name: 1,3,7-trimethyl-8-[4-(trifluoromethyl)phenyl]purine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[4-(trifluoromethyl)phenyl]xanthine Formula: C15H13F3N4O2 MolecularWeight: 338.28453

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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)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)C(F)(F)F)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C15H13F3N4O2/c1-20-10-12(21(2)14(24)22(3)13(10)23)19-11(20)8-4-6-9(7-5-8)15(16,17)18/h4-7H,1-3H3