2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)-5-oxidanyl-pyran-4-one

Systemtic Name: 2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)-5-oxidanyl-pyran-4-one Openeye Name: 5-hydroxy-2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)pyran-4-one CAS Name: 5-hydroxy-2-[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]-4-pyranone IUPAC Name: 5-hydroxy-2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)pyran-4-one Traditional Name: 5-hydroxy-2-[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]pyran-4-one Formula: C10H11N2O3S+ MolecularWeight: 239.27094

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC[N+](=CN1)C2=CC(=O)C(=CO2)O

Isomeric SMILES

CSC1=CC[N+](=CN1)C2=CC(=O)C(=CO2)O

InChI

InChI=1S/C10H10N2O3S/c1-16-9-2-3-12(6-11-9)10-4-7(13)8(14)5-15-10/h2,4-6,14H,3H2,1H3/p+1