8-methyl-2-methylsulfanyl-7-methylsulfonyl-1H-[1,2,4]triazolo[5,1-b]purin-5-one

Systemtic Name: 8-methyl-2-methylsulfanyl-7-methylsulfonyl-1H-[1,2,4]triazolo[5,1-b]purin-5-one Openeye Name: 8-methyl-2-methylsulfanyl-7-methylsulfonyl-1H-[1,2,4]triazolo[5,1-b]purin-5-one CAS Name: 8-methyl-7-methylsulfonyl-2-(methylthio)-1H-[1,2,4]triazolo[5,1-b]purin-5-one IUPAC Name: 8-methyl-2-methylsulfanyl-7-methylsulfonyl-1H-[1,2,4]triazolo[5,1-b]purin-5-one Traditional Name: 7-mesyl-8-methyl-2-(methylthio)-1H-[1,2,4]triazolo[5,1-b]purin-5-one Formula: C9H10N6O3S2 MolecularWeight: 314.3441

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N=C3N2NC(=N3)SC)N=C1S(=O)(=O)C

Isomeric SMILES

CN1C2=C(C(=O)N=C3N2NC(=N3)SC)N=C1S(=O)(=O)C

InChI

InChI=1S/C9H10N6O3S2/c1-14-6-4(10-9(14)20(3,17)18)5(16)11-7-12-8(19-2)13-15(6)7/h1-3H3,(H,11,12,13,16)