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2-(METHYLTHIO)-9H-PURINE
SpectraBase Compound ID DtG560LyPE
InChI InChI=1S/C6H6N4S/c1-11-6-7-2-4-5(10-6)9-3-8-4/h2-3H,1H3,(H,7,8,9,10)
InChIKey GEVCSRLIETZLTD-UHFFFAOYSA-N
Mol Weight 166.2 g/mol
Molecular Formula C6H6N4S
Exact Mass 166.031317 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6eocGH7NoCx
Name 1H-Purine, 2-(methylthio)-
CAS Registry Number 33512-51-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N4S
InChI InChI=1S/C6H6N4S/c1-11-6-7-2-4-5(10-6)9-3-8-4/h2-3H,1H3,(H,7,8,9,10)
InChIKey GEVCSRLIETZLTD-UHFFFAOYSA-N
Molecular Weight 166.202 g/mol
SMILES [nH]1cnc2c1cnc(n2)SC
SPLASH splash10-01bc-9300000000-884697c5c6675d8bf93a
Source of Spectrum OS-5-112-0
Synonyms 2-(Methylsulfanyl)-7H-purine 2-(methylthio)-7H-purine 2-Methylthiopurine
Wiley ID 1161876