5,6-dimethyl-2-methylsulfanyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-3-ium-7-one; methyl sulfate

Systemtic Name: 5,6-dimethyl-2-methylsulfanyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-3-ium-7-one; methyl sulfate Openeye Name: 5,6-dimethyl-2-methylsulfanyl-3-phenyl-thiazolo[4,5-d]pyrimidin-3-ium-7-one; methyl sulfate CAS Name: 5,6-dimethyl-2-(methylthio)-3-phenyl-7-thiazolo[4,5-d]pyrimidin-3-iumone; methyl sulfate IUPAC Name: 5,6-dimethyl-2-methylsulfanyl-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-3-ium-7-one; methyl sulfate Traditional Name: 5,6-dimethyl-2-(methylthio)-3-phenyl-thiazolo[4,5-d]pyrimidin-3-ium-7-one; methyl sulfate Formula: C15H17N3O5S3 MolecularWeight: 415.50758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=O)N1C)SC(=[N+]2C3=CC=CC=C3)SC.COS(=O)(=O)[O-]

Isomeric SMILES

CC1=NC2=C(C(=O)N1C)SC(=[N+]2C3=CC=CC=C3)SC.COS(=O)(=O)[O-]

InChI

InChI=1S/C14H14N3OS2.CH4O4S/c1-9-15-12-11(13(18)16(9)2)20-14(19-3)17(12)10-7-5-4-6-8-10;1-5-6(2,3)4/h4-8H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1