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2-Butylamino-8-cyano-3-(4-fluorophenyl)-5-methyl-7-(methylthio)-pyrido[4,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID AkSXlmHT53K
InChI InChI=1S/C20H20FN5OS/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 UUDDZXQCISGIQJ-UHFFFAOYSA-N
Mol Weight 397.47 g/mol
Molecular Formula C20H20FN5OS
Exact Mass 397.13726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bzyi8l1afWz
Name 2-Butylamino-8-cyano-3-(4-fluorophenyl)-5-methyl-7-(methylthio)-pyrido[4,3-d]pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20FN5OS
InChI InChI=1S/C20H20FN5OS/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 UUDDZXQCISGIQJ-UHFFFAOYSA-N
Molecular Weight 397.472 g/mol
SMILES N(C=1N(C(c2c(c(C#N)c(nc2C)SC)N1)=O)c1ccc(cc1)F)CCCC
SPLASH splash10-0007-4009000000-aa800aa837f6ac4ae06a
Source of Spectrum Y-61-1355-6b
Synonyms 2-(butylamino)-3-(4-fluorophenyl)-5-methyl-7-(methylthio)-4-oxo-3,4-dihydropyrido[4,3-d]pyrimidine-8-carbonitrile
Wiley ID 1741153