5-methyl-2-methylsulfanyl-3-phenyl-4H-[1,3]thiazolo[4,5-d]pyrimidin-3-ium-7-one; methyl sulfate

Systemtic Name: 5-methyl-2-methylsulfanyl-3-phenyl-4H-[1,3]thiazolo[4,5-d]pyrimidin-3-ium-7-one; methyl sulfate Openeye Name: 5-methyl-2-methylsulfanyl-3-phenyl-4H-thiazolo[4,5-d]pyrimidin-3-ium-7-one; methyl sulfate CAS Name: 5-methyl-2-(methylthio)-3-phenyl-4H-thiazolo[4,5-d]pyrimidin-3-ium-7-one; methyl sulfate IUPAC Name: 5-methyl-2-methylsulfanyl-3-phenyl-4H-[1,3]thiazolo[4,5-d]pyrimidin-3-ium-7-one; methyl sulfate Traditional Name: 5-methyl-2-(methylthio)-3-phenyl-4H-thiazolo[4,5-d]pyrimidin-3-ium-7-one; methyl sulfate Formula: C14H15N3O5S3 MolecularWeight: 401.481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)[N+](=C(S2)SC)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=NC(=O)C2=C(N1)[N+](=C(S2)SC)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C13H11N3OS2.CH4O4S/c1-8-14-11-10(12(17)15-8)19-13(18-2)16(11)9-6-4-3-5-7-9;1-5-6(2,3)4/h3-7H,1-2H3;1H3,(H,2,3,4)