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3-(4-Chlorophenyl)-8-cyano-5-methyl-7-(methylthio)-2-propylamino-pyrido[4,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID HxbstbQx1B1
InChI InChI=1S/C19H18ClN5OS/c1-4-9-22-19-24-16-14(10-21)17(27-3)23-11(2)15(16)18(26)25(19)13-7-5-12(20)6-8-13/h5-8H,4,9H2,1-3H3,(H,22,24)
InChIKey KKYBRXDLZBIWGY-UHFFFAOYSA-N
Mol Weight 399.9 g/mol
Molecular Formula C19H18ClN5OS
Exact Mass 399.092059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LlwH3Fkje9p
Name 3-(4-Chlorophenyl)-8-cyano-5-methyl-7-(methylthio)-2-propylamino-pyrido[4,3-d]pyrimidin-4(3H)-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18ClN5OS
InChI InChI=1S/C19H18ClN5OS/c1-4-9-22-19-24-16-14(10-21)17(27-3)23-11(2)15(16)18(26)25(19)13-7-5-12(20)6-8-13/h5-8H,4,9H2,1-3H3,(H,22,24)
InChIKey KKYBRXDLZBIWGY-UHFFFAOYSA-N
Molecular Weight 399.900 g/mol
SMILES N(C=1N(C(c2c(c(C#N)c(nc2C)SC)N1)=O)c1ccc(cc1)Cl)CCC
SPLASH splash10-0pba-0019300000-c98511e5d239987cecca
Source of Spectrum Y-51-288-6h
Synonyms 3-(4-Chlorophenyl)-5-methyl-7-(methylthio)-4-oxo-2-(propylamino)-3,4-dihydropyrido[4,3-d]pyrimidine-8-carbonitrile
Wiley ID 1741305