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2-methyl-6-purinethiol
SpectraBase Compound ID I8l1OUh37Lp
InChI InChI=1S/C6H6N4S/c1-3-9-5-4(6(11)10-3)7-2-8-5/h2H,1H3,(H2,7,8,9,10,11)
InChIKey YWQVHMHIKOYWHQ-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 4wNXgHz0lYW
Name 6H-Purine-6-thione, 1,7-dihydro-2-methyl-
CAS Registry Number 38917-31-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N4S
InChI InChI=1S/C6H6N4S/c1-3-9-5-4(6(11)10-3)7-2-8-5/h2H,1H3,(H2,7,8,9,10,11)
InChIKey YWQVHMHIKOYWHQ-UHFFFAOYSA-N
Molecular Weight 166.202 g/mol
SMILES Sc1c2nc[nH]c2nc(n1)C
SPLASH splash10-015c-9800000000-fdb3822b18352cee74ef
Source of Spectrum O3-0-1219-0
Synonyms 2-Methyl-9H-purine-6-thiol 2-Methyl-3,7-dihydropurine-6-thione 2-Methyl-6-thiopurine Purine-6-thiol, 2-methyl-
Wiley ID 14189