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2-(3-Chloroquinoxalin-2-ylthio)-4-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
SpectraBase Compound ID 42sQ9DAtk7E
InChI InChI=1S/C19H10ClN5O2S/c20-16-18(23-14-4-2-1-3-13(14)22-16)28-19-24-15(12(9-21)17(27)25-19)10-5-7-11(26)8-6-10/h1-8,26H,(H,24,25,27)
InChIKey UGQYIVLMDSQGLL-UHFFFAOYSA-N
Mol Weight 407.84 g/mol
Molecular Formula C19H10ClN5O2S
Exact Mass 407.024373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BQdNPqwyWVE
Name 2-(3-Chloroquinoxalin-2-ylthio)-4-(4-hydroxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C19H10ClN5O2S
InChI InChI=1S/C19H10ClN5O2S/c20-16-18(23-14-4-2-1-3-13(14)22-16)28-19-24-15(12(9-21)17(27)25-19)10-5-7-11(26)8-6-10/h1-8,26H,(H,24,25,27)
InChIKey UGQYIVLMDSQGLL-UHFFFAOYSA-N
Molecular Weight 407.835 g/mol
SMILES N1C(C(=C(c2ccc(cc2)O)N=C1Sc1nc2ccccc2nc1Cl)C#N)=O
SPLASH splash10-0002-0090100000-aab66f25ca1c9ac5881a
Source of Spectrum F2-46-338-18
Synonyms 2-[(3-chloro-2-quinoxalinyl)thio]-6-(4-hydroxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile 2-(3-chloroquinoxalin-2-yl)sulfanyl-6-(4-hydroxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile 2-(3-chloranylquinoxalin-2-yl)sulfanyl-6-(4-hydroxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile
Wiley ID 1689795