8-chloranyl-1,3-dimethyl-7-[[4-(trifluoromethyloxy)phenyl]methyl]purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[[4-(trifluoromethyloxy)phenyl]methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[[4-(trifluoromethoxy)phenyl]methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[[4-(trifluoromethoxy)phenyl]methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[[4-(trifluoromethoxy)phenyl]methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[4-(trifluoromethoxy)benzyl]xanthine Formula: C15H12ClF3N4O3 MolecularWeight: 388.72899

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClF3N4O3/c1-21-11-10(12(24)22(2)14(21)25)23(13(16)20-11)7-8-3-5-9(6-4-8)26-15(17,18)19/h3-6H,7H2,1-2H3