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5-Cyano-4-methylsulfanyl-2-phenyl-1H-pyrimidin-6-one

View entire compound with spectra: 2 MS (GC)

5-Cyano-4-methylsulfanyl-2-phenyl-1H-pyrimidin-6-one
SpectraBase Compound ID K3AZnG55RGN
InChI InChI=1S/C12H9N3OS/c1-17-12-9(7-13)11(16)14-10(15-12)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15,16)
InChIKey OUSBLYHTCSUCNF-UHFFFAOYSA-N
Mol Weight 243.28 g/mol
Molecular Formula C12H9N3OS
Exact Mass 243.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWiji9XPwc9
Name 4-(methylsulfanyl)-6-oxo-2-phenyl-1,6-dihydro-5-pyrimidinecarbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3OS
InChI InChI=1S/C12H9N3OS/c1-17-12-9(7-13)11(16)14-10(15-12)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15,16)
InChIKey OUSBLYHTCSUCNF-UHFFFAOYSA-N
Molecular Weight 243.284 g/mol
SMILES N1C(C(=C(N=C1c1ccccc1)SC)C#N)=O
SPLASH splash10-0f6x-2910000000-d47af8d30459af6479f3
Source of Spectrum H1-34-1581-7
Synonyms 4-(methylthio)-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile 4-Methylsulfanyl-6-oxidanylidene-2-phenyl-1H-pyrimidine-5-carbonitrile 4-Methylsulfanyl-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile 6-keto-4-(methylthio)-2-phenyl-1H-pyrimidine-5-carbonitrile
Wiley ID 754745