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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]xanthine Formula: C15H12ClF3N4O2 MolecularWeight: 372.72959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClF3N4O2/c1-21-11-10(12(24)22(2)14(21)25)23(13(16)20-11)7-8-4-3-5-9(6-8)15(17,18)19/h3-6H,7H2,1-2H3