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

Systemtic Name: 1,3-dimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-7H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-7H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-[[3-(trifluoromethyl)phenyl]methylthio]-7H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[[3-(trifluoromethyl)benzyl]thio]-7H-purine-2,6-quinone Formula: C15H13F3N4O2S MolecularWeight: 370.34953

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C15H13F3N4O2S/c1-21-11-10(12(23)22(2)14(21)24)19-13(20-11)25-7-8-4-3-5-9(6-8)15(16,17)18/h3-6H,7H2,1-2H3,(H,19,20)