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3-(4-Chlorophenyl)-8-cyano-2-butylamino-5-methyl-7-(methylthio)-pyrido[4,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID 5XTvkHcoW9I
InChI InChI=1S/C20H20ClN5OS/c1-4-5-10-23-20-25-17-15(11-22)18(28-3)24-12(2)16(17)19(27)26(20)14-8-6-13(21)7-9-14/h6-9H,4-5,10H2,1-3H3,(H,23,25)
InChIKey AYMJAATUQWRVLA-UHFFFAOYSA-N
Mol Weight 413.93 g/mol
Molecular Formula C20H20ClN5OS
Exact Mass 413.107709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bItiWtWpRx
Name 3-(4-Chlorophenyl)-8-cyano-2-butylamino-5-methyl-7-(methylthio)-pyrido[4,3-d]pyrimidin-4(3H)-one
Alternate Name(s) 2-(butylamino)-3-(4-chlorophenyl)-5-methyl-7-(methylthio)-4-oxo-3,4-dihydropyrido[4,3-d]pyrimidine-8-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20ClN5OS
InChI InChI=1S/C20H20ClN5OS/c1-4-5-10-23-20-25-17-15(11-22)18(28-3)24-12(2)16(17)19(27)26(20)14-8-6-13(21)7-9-14/h6-9H,4-5,10H2,1-3H3,(H,23,25)
InChIKey AYMJAATUQWRVLA-UHFFFAOYSA-N
Molecular Weight 413.927 g/mol
SMILES N(C=1N(C(c2c(c(C#N)c(nc2C)SC)N1)=O)c1ccc(cc1)Cl)CCCC
SPLASH splash10-03xu-4721900000-2cae0bbd63f63e7f09d8
Source of Spectrum Y-51-289-6i
Wiley ID 1741304