1,3-dimethyl-8-sulfanylidene-7-[[3-(trifluoromethyl)phenyl]methyl]-9H-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-sulfanylidene-7-[[3-(trifluoromethyl)phenyl]methyl]-9H-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-thioxo-7-[[3-(trifluoromethyl)phenyl]methyl]-9H-purine-2,6-dione CAS Name: 1,3-dimethyl-8-sulfanylidene-7-[[3-(trifluoromethyl)phenyl]methyl]-9H-purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-sulfanylidene-7-[[3-(trifluoromethyl)phenyl]methyl]-9H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-thioxo-7-[3-(trifluoromethyl)benzyl]-9H-purine-2,6-quinone Formula: C15H13F3N4O2S MolecularWeight: 370.34953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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