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8-Cyano-2-(3-methoxyphenethylamino)-5-methyl-7-(methylthio)-3-phenyl-pyrido[4,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 8IrWc6Nwxoi
InChI InChI=1S/C25H23N5O2S/c1-16-21-22(20(15-26)23(28-16)33-3)29-25(30(24(21)31)18-9-5-4-6-10-18)27-13-12-17-8-7-11-19(14-17)32-2/h4-11,14H,12-13H2,1-3H3,(H,27,29)
InChIKey IIAWQXVGBNSRBF-UHFFFAOYSA-N
Mol Weight 457.55 g/mol
Molecular Formula C25H23N5O2S
Exact Mass 457.157246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tSMWacCRgq
Name 8-Cyano-2-(3-methoxyphenethylamino)-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 C25H23N5O2S
InChI InChI=1S/C25H23N5O2S/c1-16-21-22(20(15-26)23(28-16)33-3)29-25(30(24(21)31)18-9-5-4-6-10-18)27-13-12-17-8-7-11-19(14-17)32-2/h4-11,14H,12-13H2,1-3H3,(H,27,29)
InChIKey IIAWQXVGBNSRBF-UHFFFAOYSA-N
Molecular Weight 457.552 g/mol
SMILES N(C=1N(C(c2c(c(C#N)c(nc2C)SC)N1)=O)c1ccccc1)CCc1cc(OC)ccc1
SPLASH splash10-053r-4904500000-78b7d66e274d31485d3e
Source of Spectrum Y-51-289-6o
Synonyms 2-((3-methoxyphenethyl)amino)-5-methyl-7-(methylthio)-4-oxo-3-phenyl-3,4-dihydropyrido[4,3-d]pyrimidine-8-carbonitrile
Wiley ID 1741269