1,3,6-trimethyl-5-methylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-ium-7-one

Systemtic Name: 1,3,6-trimethyl-5-methylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-ium-7-one Openeye Name: 1,3,6-trimethyl-5-methylsulfanyl-triazolo[4,5-d]pyrimidin-3-ium-7-one CAS Name: 1,3,6-trimethyl-5-(methylthio)-7-triazolo[4,5-d]pyrimidin-3-iumone IUPAC Name: 1,3,6-trimethyl-5-methylsulfanyltriazolo[4,5-d]pyrimidin-3-ium-7-one Traditional Name: 1,3,6-trimethyl-5-(methylthio)triazolo[4,5-d]pyrimidin-3-ium-7-one Formula: C8H12N5OS+ MolecularWeight: 226.27878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C(N(C2=O)C)SC)[N+](=N1)C

Isomeric SMILES

CN1C2=C(N=C(N(C2=O)C)SC)[N+](=N1)C

InChI

InChI=1S/C8H12N5OS/c1-11-7(14)5-6(9-8(11)15-4)13(3)10-12(5)2/h1-4H3/q+1