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3-(methylthio)-6-phenyl-8-oxo-7,8-dihydropyrimido[4,5-e]-1,2,4-triazine
SpectraBase Compound ID KWnZt20sVEG
InChI InChI=1S/C12H9N5OS/c1-19-12-15-10-8(16-17-12)11(18)14-9(13-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,14,15,17,18)
InChIKey CUYBGQDUJKUKGY-UHFFFAOYSA-N
Mol Weight 271.3 g/mol
Molecular Formula C12H9N5OS
Exact Mass 271.052781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17kwWXm5boj
Name 3-(methylthio)-6-phenyl-8-oxo-7,8-dihydropyrimido[4,5-e]-1,2,4-triazine
Alternate Name(s) 3-(methylsulfanyl)-6-phenylpyrimido[4,5-e][1,2,4]triazin-8(7H)-one
CAS Registry Number 96259-43-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N5OS
InChI InChI=1S/C12H9N5OS/c1-19-12-15-10-8(16-17-12)11(18)14-9(13-10)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,14,15,17,18)
InChIKey CUYBGQDUJKUKGY-UHFFFAOYSA-N
Molecular Weight 271.298 g/mol
SMILES N1C(=Nc2c(C1=O)nnc(n2)SC)c1ccccc1
SPLASH splash10-0fb9-4490000000-aadbe708ed38aff2539c
Source of Spectrum J-50-2297-10
Wiley ID 1275101