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2-Allylamino-8-cyano-3-(4-fluorophenyl)-5-methyl-7-(methylthio)-pyrido[4,3-d]pyrimidin-4(3H)-one
SpectraBase Compound ID ECw9ed53OPU
InChI InChI=1S/C19H16FN5OS/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/h4-8H,1,9H2,2-3H3,(H,22,24)
InChIKey OOLXOKSULXHMJK-UHFFFAOYSA-N
Mol Weight 381.43 g/mol
Molecular Formula C19H16FN5OS
Exact Mass 381.105959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UTFxLqORMU
Name 2-Allylamino-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 C19H16FN5OS
InChI InChI=1S/C19H16FN5OS/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/h4-8H,1,9H2,2-3H3,(H,22,24)
InChIKey OOLXOKSULXHMJK-UHFFFAOYSA-N
Molecular Weight 381.429 g/mol
SMILES N(C=1N(C(c2c(c(C#N)c(nc2C)SC)N1)=O)c1ccc(cc1)F)CC=C
SPLASH splash10-014i-0009000000-f3a0dc9b4dcd3858dde7
Source of Spectrum Y-51-288-6g
Synonyms 2-(allylamino)-3-(4-fluorophenyl)-5-methyl-7-(methylthio)-4-oxo-3,4-dihydropyrido[4,3-d]pyrimidine-8-carbonitrile
Wiley ID 1741306