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

Systemtic Name: 3,6-dimethyl-5-methylsulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-7-one Openeye Name: 3,6-dimethyl-5-methylsulfanyl-triazolo[4,5-d]pyrimidin-7-one CAS Name: 3,6-dimethyl-5-(methylthio)-7-triazolo[4,5-d]pyrimidinone IUPAC Name: 3,6-dimethyl-5-methylsulfanyltriazolo[4,5-d]pyrimidin-7-one Traditional Name: 3,6-dimethyl-5-(methylthio)triazolo[4,5-d]pyrimidin-7-one Formula: C7H9N5OS MolecularWeight: 211.24426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C(=N2)SC)C)N=N1

Isomeric SMILES

CN1C2=C(C(=O)N(C(=N2)SC)C)N=N1

InChI

InChI=1S/C7H9N5OS/c1-11-6(13)4-5(8-7(11)14-3)12(2)10-9-4/h1-3H3