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5-Allyl-6-methyl-2-(methylsulfanyl)-4-pyrimidinol
SpectraBase Compound ID JYyd7p6sqBZ
InChI InChI=1S/C9H12N2OS/c1-4-5-7-6(2)10-9(13-3)11-8(7)12/h4H,1,5H2,2-3H3,(H,10,11,12)
InChIKey PJQCYYYPVNSTOK-UHFFFAOYSA-N
Mol Weight 196.27 g/mol
Molecular Formula C9H12N2OS
Exact Mass 196.067034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H5FRFUMZXyk
Name 5-Allyl-6-methyl-2-(methylsulfanyl)-4-pyrimidinol
CAS Registry Number 54069-14-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12N2OS
InChI InChI=1S/C9H12N2OS/c1-4-5-7-6(2)10-9(13-3)11-8(7)12/h4H,1,5H2,2-3H3,(H,10,11,12)
InChIKey PJQCYYYPVNSTOK-UHFFFAOYSA-N
Molecular Weight 196.268 g/mol
SMILES Oc1c(c(nc(n1)SC)C)CC=C
SPLASH splash10-0002-9300000000-b62b1fb5b3af4068249f
Synonyms 5-Allyl-4-hydroxy-6-methyl-2-(methylthio)pyrimidine 5-Allyl-6-methyl-2-(methylthio)-1H-pyrimidin-4-one 5-Allyl-6-methyl-2-methylsulfanyl-1H-pyrimidin-4-one 6-Methyl-2-(methylthio)-5-prop-2-enyl-1H-pyrimidin-4-one 6-Methyl-2-methylsulfanyl-5-prop-2-enyl-1H-pyrimidin-4-one
Wiley ID 1469492