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4,6-Dimethyl-2-oxo-5-(pyrimidin-2-ylsulfanylmethyl)-1,2-dihydro-pyridine-3-carbonitrile
SpectraBase Compound ID 58jJR2cYH7Y
InChI InChI=1S/C13H12N4OS/c1-8-10(6-14)12(18)17-9(2)11(8)7-19-13-15-4-3-5-16-13/h3-5H,7H2,1-2H3,(H,17,18)
InChIKey ZVUPTUNTVCWRTE-UHFFFAOYSA-N
Mol Weight 272.33 g/mol
Molecular Formula C13H12N4OS
Exact Mass 272.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZ5DgcqAyIu
Name 4,6-Dimethyl-2-oxo-5-(pyrimidin-2-ylsulfanylmethyl)-1,2-dihydro-pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4OS
InChI InChI=1S/C13H12N4OS/c1-8-10(6-14)12(18)17-9(2)11(8)7-19-13-15-4-3-5-16-13/h3-5H,7H2,1-2H3,(H,17,18)
InChIKey ZVUPTUNTVCWRTE-UHFFFAOYSA-N
Molecular Weight 272.326 g/mol
SMILES N1C(=C(C(=C(C1=O)C#N)C)CSc1ncccn1)C
SPLASH splash10-03di-4920000000-2e720f1f060259b630fd
Synonyms 2-keto-4,6-dimethyl-5-[(2-pyrimidylthio)methyl]-1H-pyridine-3-carbonitrile 4,6-Dimethyl-2-oxidanylidene-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyridine-3-carbonitrile 4,6-Dimethyl-2-oxo-5-(pyrimidin-2-ylsulfanylmethyl)-1H-pyridine-3-carbonitrile 4,6-Dimethyl-2-oxo-5-[(2-pyrimidinylsulfanyl)methyl]-1,2-dihydro-3-pyridinecarbonitrile 4,6-Dimethyl-2-oxo-5-[(2-pyrimidinylthio)methyl]-1H-pyridine-3-carbonitrile
Wiley ID 1462016