1,3-dimethyl-7-[[5-oxidanylidene-4-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[[5-oxidanylidene-4-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[5-oxo-4-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[[5-oxo-4-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[[5-oxo-4-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]-1,3,4-oxadiazol-2-yl]methyl]purine-2,6-dione Traditional Name: 7-[[5-keto-4-[2-[3-(trifluoromethyl)phenyl]sulfonylethyl]-1,3,4-oxadiazol-2-yl]methyl]-1,3-dimethyl-xanthine Formula: C19H17F3N6O6S MolecularWeight: 514.43509

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NN(C(=O)O3)CCS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NN(C(=O)O3)CCS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H17F3N6O6S/c1-25-15-14(16(29)26(2)17(25)30)27(10-23-15)9-13-24-28(18(31)34-13)6-7-35(32,33)12-5-3-4-11(8-12)19(20,21)22/h3-5,8,10H,6-7,9H2,1-2H3