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2-Methyl-4-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
SpectraBase Compound ID 8m8wgPorjKk
InChI InChI=1S/C7H7N3OS/c1-4-9-6(11)5(3-8)7(10-4)12-2/h1-2H3,(H,9,10,11)
InChIKey SSWJKGVCZRWCAF-UHFFFAOYSA-N
Mol Weight 181.21 g/mol
Molecular Formula C7H7N3OS
Exact Mass 181.030983 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79KP3qu2s7i
Name 2-Methyl-4-(methylsulfanyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
Alternate Name(s) 2-Methyl-4-(methylthio)-6-oxo-1H-pyrimidine-5-carbonitrile 2-Methyl-4-methylsulfanyl-6-oxidanylidene-1H-pyrimidine-5-carbonitrile 2-Methyl-4-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile 6-keto-2-methyl-4-(methylthio)-1H-pyrimidine-5-carbonitrile Pyrimidine-5-carbonitrile, 3,4-dihydro-2-methyl-6-methylthio-4-oxo-
CAS Registry Number 15908-63-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H7N3OS
InChI InChI=1S/C7H7N3OS/c1-4-9-6(11)5(3-8)7(10-4)12-2/h1-2H3,(H,9,10,11)
InChIKey SSWJKGVCZRWCAF-UHFFFAOYSA-N
Molecular Weight 181.213 g/mol
SMILES N1C(=NC(=C(C1=O)C#N)SC)C
SPLASH splash10-0006-9700000000-af9293ee13c958567e64
Source of Spectrum AD-0-2532-0
Wiley ID 1425734