1,8-dimethyl-5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-7-amine iodide

Systemtic Name: 1,8-dimethyl-5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-7-amine iodide Openeye Name: 1,8-dimethyl-5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-7-amine iodide CAS Name: 1,8-dimethyl-5-(methylthio)-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-7-amine iodide IUPAC Name: 1,8-dimethyl-5-methylsulfanyl-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-7-amine iodide Traditional Name: [1,8-dimethyl-5-(methylthio)-[1,2,4]triazolo[1,5-c]pyrimidin-4-ium-7-yl]amine iodide Formula: C8H12IN5S MolecularWeight: 337.18385

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C([N+]2=C1N(C=N2)C)SC)N.[I-]

Isomeric SMILES

CC1=C(N=C([N+]2=C1N(C=N2)C)SC)N.[I-]

InChI

InChI=1S/C8H11N5S.HI/c1-5-6(9)11-8(14-3)13-7(5)12(2)4-10-13;/h4,9H,1-3H3;1H