1-methyl-7-methylsulfanyl-2H-[1,2,3]triazolo[5,1-b]purin-4-ium 4-oxide

Systemtic Name: 1-methyl-7-methylsulfanyl-2H-[1,2,3]triazolo[5,1-b]purin-4-ium 4-oxide Openeye Name: 1-methyl-7-methylsulfanyl-2H-triazolo[5,1-b]purin-4-ium 4-oxide CAS Name: 1-methyl-7-(methylthio)-2H-triazolo[5,1-b]purin-4-ium 4-oxide IUPAC Name: 1-methyl-7-methylsulfanyl-2H-triazolo[5,1-b]purin-4-ium 4-oxide Traditional Name: 1-methyl-7-(methylthio)-2H-triazolo[5,1-b]purin-4-ium 4-oxide Formula: C8H9N6OS+ MolecularWeight: 237.26166

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Descriptors Computed from Structure

Canonical SMILES:

CN1NC=C2N1C3=NC(=NC3=C[N+]2=O)SC

Isomeric SMILES

CN1NC=C2N1C3=NC(=NC3=C[N+]2=O)SC

InChI

InChI=1S/C8H9N6OS/c1-12-9-3-6-13(15)4-5-7(14(6)12)11-8(10-5)16-2/h3-4,9H,1-2H3/q+1