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8-Sulfanyl-1,9-dihydro-6H-purin-6-one
SpectraBase Compound ID DWdnXZp6MyY
InChI InChI=1S/C5H4N4OS/c10-4-2-3(6-1-7-4)9-5(11)8-2/h1H,(H3,6,7,8,9,10,11)
InChIKey BGSBOXCITZLNQI-UHFFFAOYSA-N
Mol Weight 168.17 g/mol
Molecular Formula C5H4N4OS
Exact Mass 168.010582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOWP85fShRi
Name 8-Sulfanyl-1,9-dihydro-6H-purin-6-one
CAS Registry Number 6305-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4N4OS
InChI InChI=1S/C5H4N4OS/c10-4-2-3(6-1-7-4)9-5(11)8-2/h1H,(H3,6,7,8,9,10,11)
InChIKey BGSBOXCITZLNQI-UHFFFAOYSA-N
Molecular Weight 168.174 g/mol
SMILES [nH]1c(nc2C(NC=Nc12)=O)S
SPLASH splash10-0159-7900000000-07c9ea1d0b778be85657
Source of Spectrum AD-0-2532-0
Synonyms 1,7,8,9-Tetrahydro-8-thioxo-6H-purin-6-one 6-Hydroxy-8-mercaptopurine 6H-Purin-6-one, 1,7,8,9-tetrahydro-8-thioxo- 6H-Purin-6-one, 1,9-dihydro-8-mercapto- 8-Mercaptohypoxanthine 8-sulfanylidene-7,9-dihydro-3H-purin-6-one 8-Thiohypoxanthine 8-Thioxo-1,7,8,9-tetrahydro-purin-6-one 8-Thioxo-7,9-dihydro-3H-purin-6-one Hypoxanthine, 8-mercapto- SQ 21,978 AI3-52143 EINECS 228-617-2 NSC 22713
Wiley ID 1427031