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8-(Methylsulfanyl)-1,9-dihydro-6H-purin-6-one
SpectraBase Compound ID 1W1gHtGhdLa
InChI InChI=1S/C6H6N4OS/c1-12-6-9-3-4(10-6)7-2-8-5(3)11/h2H,1H3,(H2,7,8,9,10,11)
InChIKey JUWSXVHEVARMGZ-UHFFFAOYSA-N
Mol Weight 182.2 g/mol
Molecular Formula C6H6N4OS
Exact Mass 182.026232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ATCwGpZOJs
Name 8-(Methylsulfanyl)-1,9-dihydro-6H-purin-6-one
CAS Registry Number 59008-14-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N4OS
InChI InChI=1S/C6H6N4OS/c1-12-6-9-3-4(10-6)7-2-8-5(3)11/h2H,1H3,(H2,7,8,9,10,11)
InChIKey JUWSXVHEVARMGZ-UHFFFAOYSA-N
Molecular Weight 182.201 g/mol
SMILES N1C(c2nc([nH]c2N=C1)SC)=O
SPLASH splash10-000t-9500000000-db99a578df78bb09a411
Source of Spectrum AD-0-2532-0
Synonyms 8-(methylthio)-3,7-dihydropurin-6-one 8-Methylsulfanyl-3,7-dihydropurin-6-one Purin-6(1H)-one, 8-methylthio-
Wiley ID 1420541