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2-(2-Chlorobenzylamino)-8-cyano-5-methyl-7-(methylthio)-3-phenyl-pyrido[4,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID LjGoOQbAx9Q
InChI InChI=1S/C23H18ClN5OS/c1-14-19-20(17(12-25)21(27-14)31-2)28-23(26-13-15-8-6-7-11-18(15)24)29(22(19)30)16-9-4-3-5-10-16/h3-11H,13H2,1-2H3,(H,26,28)
InChIKey ISFSXSPBGVWOOC-UHFFFAOYSA-N
Mol Weight 447.94 g/mol
Molecular Formula C23H18ClN5OS
Exact Mass 447.092059 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3e0d6SHpbnf
Name 2-(2-Chlorobenzylamino)-8-cyano-5-methyl-7-(methylthio)-3-phenyl-pyrido[4,3-d]pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H18ClN5OS
InChI InChI=1S/C23H18ClN5OS/c1-14-19-20(17(12-25)21(27-14)31-2)28-23(26-13-15-8-6-7-11-18(15)24)29(22(19)30)16-9-4-3-5-10-16/h3-11H,13H2,1-2H3,(H,26,28)
InChIKey ISFSXSPBGVWOOC-UHFFFAOYSA-N
Molecular Weight 447.944 g/mol
SMILES N(C=1N(C(c2c(c(C#N)c(nc2C)SC)N1)=O)c1ccccc1)Cc1c(Cl)cccc1
SPLASH splash10-0002-0001900000-b707be3db8cc656a0c6d
Source of Spectrum Y-51-289-6k
Synonyms 2-((2-chlorobenzyl)amino)-5-methyl-7-(methylthio)-4-oxo-3-phenyl-3,4-dihydropyrido[4,3-d]pyrimidine-8-carbonitrile
Wiley ID 1741302