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3-(methylthio)-6-amino-8-oxo-7,8-dihydropyrimido[4,5-e]-1,2,4-triazine
SpectraBase Compound ID 79BQuBrjZ3o
InChI InChI=1S/C6H6N6OS/c1-14-6-9-3-2(11-12-6)4(13)10-5(7)8-3/h1H3,(H3,7,8,9,10,12,13)
InChIKey UGSUFOQIRSLHBE-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 88uZJ03Ggo2
Name 3-(methylthio)-6-amino-8-oxo-7,8-dihydropyrimido[4,5-e]-1,2,4-triazine
CAS Registry Number 96259-42-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N6OS
InChI InChI=1S/C6H6N6OS/c1-14-6-9-3-2(11-12-6)4(13)10-5(7)8-3/h1H3,(H3,7,8,9,10,12,13)
InChIKey UGSUFOQIRSLHBE-UHFFFAOYSA-N
Molecular Weight 210.215 g/mol
SMILES N1C(c2c(N=C1N)nc(nn2)SC)=O
SPLASH splash10-0006-9410000000-8baad50b8db62d2d61c0
Source of Spectrum J-50-2297-10
Synonyms 6-Amino-3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazin-8(7H)-one 6-Amino-3-methylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazin-8-one 6-Azanyl-3-methylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazin-8-one
Wiley ID 1208448