8-bromanyl-1,3-dimethyl-9-[[4-(trifluoromethyloxy)phenyl]methyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[[4-(trifluoromethyloxy)phenyl]methyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[[4-(trifluoromethoxy)phenyl]methyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[[4-(trifluoromethoxy)phenyl]methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[[4-(trifluoromethoxy)phenyl]methyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-[4-(trifluoromethoxy)benzyl]xanthine Formula: C15H12BrF3N4O3 MolecularWeight: 433.17999

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=C(C=C3)OC(F)(F)F)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CC=C(C=C3)OC(F)(F)F)Br

InChI

InChI=1S/C15H12BrF3N4O3/c1-21-11-10(12(24)22(2)14(21)25)20-13(16)23(11)7-8-3-5-9(6-4-8)26-15(17,18)19/h3-6H,7H2,1-2H3