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3-(methylthio)-5-oxo-7-amino-5,6-dihydropyrimido[5,4-e]-1,2,4-triazine
SpectraBase Compound ID 1R4PCW1ApKf
InChI InChI=1S/C6H6N6OS/c1-14-6-8-2-3(11-12-6)9-5(7)10-4(2)13/h1H3,(H3,7,9,10,11,13)
InChIKey RLSJMFOVYHNWMG-UHFFFAOYSA-N
Mol Weight 210.22 g/mol
Molecular Formula C6H6N6OS
Exact Mass 210.03238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6v7MIyWpX58
Name 3-(methylthio)-5-oxo-7-amino-5,6-dihydropyrimido[5,4-e]-1,2,4-triazine
CAS Registry Number 96259-31-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N6OS
InChI InChI=1S/C6H6N6OS/c1-14-6-8-2-3(11-12-6)9-5(7)10-4(2)13/h1H3,(H3,7,9,10,11,13)
InChIKey RLSJMFOVYHNWMG-UHFFFAOYSA-N
Molecular Weight 210.215 g/mol
SMILES N1C(c2c(N=C1N)nnc(n2)SC)=O
SPLASH splash10-0005-9000000000-b9a00b4792218dcb3895
Source of Spectrum J-50-2296-5
Synonyms 7-Amino-3-(methylsulfanyl)pyrimido[5,4-e][1,2,4]triazin-5(6H)-one 7-Amino-3-methylsulfanyl-8H-pyrimido[5,4-e][1,2,4]triazin-5-one 7-Azanyl-3-methylsulfanyl-8H-pyrimido[5,4-e][1,2,4]triazin-5-one
Wiley ID 1208447