2-[1-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)-2-oxidanylidene-ethenyl]-5-oxidanyl-1H-pyridin-4-one chloride hydrochloride

Systemtic Name: 2-[1-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)-2-oxidanylidene-ethenyl]-5-oxidanyl-1H-pyridin-4-one chloride hydrochloride Openeye Name: 5-hydroxy-2-[1-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)-2-oxo-vinyl]-1H-pyridin-4-one chloride hydrochloride CAS Name: 5-hydroxy-2-[1-[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]-2-oxoethenyl]-1H-pyridin-4-one chloride hydrochloride IUPAC Name: 5-hydroxy-2-[1-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)-2-oxoethenyl]-1H-pyridin-4-one chloride hydrochloride Traditional Name: 5-hydroxy-2-[2-keto-1-[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]vinyl]-4-pyridone chloride hydrochloride Formula: C12H13Cl2N3O3S MolecularWeight: 350.22092

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC[N+](=CN1)C(=C=O)C2=CC(=O)C(=CN2)O.Cl.[Cl-]

Isomeric SMILES

CSC1=CC[N+](=CN1)C(=C=O)C2=CC(=O)C(=CN2)O.Cl.[Cl-]

InChI

InChI=1S/C12H11N3O3S.2ClH/c1-19-12-2-3-15(7-14-12)9(6-16)8-4-10(17)11(18)5-13-8;;/h2,4-5,7H,3H2,1H3,(H2,13,17,18);2*1H