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2-(3-Chloroquinoxalin-2-ylthio)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
SpectraBase Compound ID Juuk9YaCBCn
InChI InChI=1S/C19H10ClN5OS/c20-16-18(23-14-9-5-4-8-13(14)22-16)27-19-24-15(11-6-2-1-3-7-11)12(10-21)17(26)25-19/h1-9H,(H,24,25,26)
InChIKey IUCMLYQNNCYYDG-UHFFFAOYSA-N
Mol Weight 391.84 g/mol
Molecular Formula C19H10ClN5OS
Exact Mass 391.029459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lWnYT5j8RV
Name 2-(3-Chloroquinoxalin-2-ylthio)-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
Alternate Name(s) 2-[(3-chloro-2-quinoxalinyl)thio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile 2-(3-chloroquinoxalin-2-yl)sulfanyl-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile 2-(3-chloranylquinoxalin-2-yl)sulfanyl-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H10ClN5OS
InChI InChI=1S/C19H10ClN5OS/c20-16-18(23-14-9-5-4-8-13(14)22-16)27-19-24-15(11-6-2-1-3-7-11)12(10-21)17(26)25-19/h1-9H,(H,24,25,26)
InChIKey IUCMLYQNNCYYDG-UHFFFAOYSA-N
Molecular Weight 391.836 g/mol
SMILES N1C(C(=C(N=C1Sc1nc2ccccc2nc1Cl)c1ccccc1)C#N)=O
SPLASH splash10-0002-0903000000-d33c2cbe6394fdcf2fda
Source of Spectrum F2-46-338-17
Wiley ID 1689796