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

Systemtic Name: 2-[1-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)-2-oxidanylidene-ethenyl]-5-oxidanyl-1H-pyridin-4-one Openeye Name: 5-hydroxy-2-[1-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)-2-oxo-vinyl]-1H-pyridin-4-one CAS Name: 5-hydroxy-2-[1-[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]-2-oxoethenyl]-1H-pyridin-4-one IUPAC Name: 5-hydroxy-2-[1-(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)-2-oxoethenyl]-1H-pyridin-4-one Traditional Name: 5-hydroxy-2-[2-keto-1-[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]vinyl]-4-pyridone Formula: C12H12N3O3S+ MolecularWeight: 278.30698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O3S/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)/p+1