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

Systemtic Name: 6-methyl-2-methylsulfanyl-3-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-3-ium-7-one; methyl sulfate Openeye Name: 3-allyl-6-methyl-2-methylsulfanyl-thiazolo[4,5-d]pyrimidin-3-ium-7-one; methyl sulfate CAS Name: 6-methyl-2-(methylthio)-3-prop-2-enyl-7-thiazolo[4,5-d]pyrimidin-3-iumone; methyl sulfate IUPAC Name: 6-methyl-2-methylsulfanyl-3-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-3-ium-7-one; methyl sulfate Traditional Name: 3-allyl-6-methyl-2-(methylthio)thiazolo[4,5-d]pyrimidin-3-ium-7-one; methyl sulfate Formula: C11H15N3O5S3 MolecularWeight: 365.4489

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C(C1=O)SC(=[N+]2CC=C)SC.COS(=O)(=O)[O-]

Isomeric SMILES

CN1C=NC2=C(C1=O)SC(=[N+]2CC=C)SC.COS(=O)(=O)[O-]

InChI

InChI=1S/C10H12N3OS2.CH4O4S/c1-4-5-13-8-7(16-10(13)15-3)9(14)12(2)6-11-8;1-5-6(2,3)4/h4,6H,1,5H2,2-3H3;1H3,(H,2,3,4)/q+1;/p-1