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

Systemtic Name: 2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)-5-oxidanyl-pyran-4-one chloride hydrochloride Openeye Name: 5-hydroxy-2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)pyran-4-one chloride hydrochloride CAS Name: 5-hydroxy-2-[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]-4-pyranone chloride hydrochloride IUPAC Name: 5-hydroxy-2-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)pyran-4-one chloride hydrochloride Traditional Name: 5-hydroxy-2-[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]pyran-4-one chloride hydrochloride Formula: C10H12Cl2N2O3S MolecularWeight: 311.18488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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