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

Systemtic Name: 2-[(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)methyl]-5-oxidanyl-1H-pyridin-4-one Openeye Name: 5-hydroxy-2-[(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)methyl]-1H-pyridin-4-one CAS Name: 5-hydroxy-2-[[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]methyl]-1H-pyridin-4-one IUPAC Name: 5-hydroxy-2-[(6-methylsulfanyl-1,4-dihydropyrimidin-3-ium-3-yl)methyl]-1H-pyridin-4-one Traditional Name: 5-hydroxy-2-[[6-(methylthio)-1,4-dihydropyrimidin-3-ium-3-yl]methyl]-4-pyridone Formula: C11H14N3O2S+ MolecularWeight: 252.31276

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC[N+](=CN1)CC2=CC(=O)C(=CN2)O

Isomeric SMILES

CSC1=CC[N+](=CN1)CC2=CC(=O)C(=CN2)O

InChI

InChI=1S/C11H13N3O2S/c1-17-11-2-3-14(7-13-11)6-8-4-9(15)10(16)5-12-8/h2,4-5,7H,3,6H2,1H3,(H2,12,15,16)/p+1