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3-(methylthio)-5-oxo-7-phenyl-5,6-dihydropyrimido[5,4-e]-1,2,4-triazine
SpectraBase Compound ID 27YqRxzE79U
InChI InChI=1S/C12H9N5OS/c1-19-12-13-8-10(16-17-12)14-9(15-11(8)18)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15,16,18)
InChIKey JMQJUOYXZILBST-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 Fev5U3oTyBW
Name 3-(methylthio)-5-oxo-7-phenyl-5,6-dihydropyrimido[5,4-e]-1,2,4-triazine
Alternate Name(s) 3-(methylsulfanyl)-7-phenylpyrimido[5,4-e][1,2,4]triazin-5(6H)-one
CAS Registry Number 96259-32-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N5OS
InChI InChI=1S/C12H9N5OS/c1-19-12-13-8-10(16-17-12)14-9(15-11(8)18)7-5-3-2-4-6-7/h2-6H,1H3,(H,14,15,16,18)
InChIKey JMQJUOYXZILBST-UHFFFAOYSA-N
Molecular Weight 271.298 g/mol
SMILES N1C(c2c(N=C1c1ccccc1)nnc(n2)SC)=O
SPLASH splash10-0udl-3960000000-3ad4958a2c577d3d373a
Source of Spectrum J-50-2296-5
Wiley ID 1275100