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8-METHYLPURINE-6-THIOL
SpectraBase Compound ID 8laXVhK10Mp
InChI InChI=1S/C6H6N4S/c1-3-9-4-5(10-3)7-2-8-6(4)11/h2H,1H3,(H2,7,8,9,10,11)
InChIKey VIVHKHHYZLMJQH-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 1HOBOWkn8Sd
Name 6H-Purine-6-thione, 1,7-dihydro-8-methyl-
CAS Registry Number 1126-23-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H6N4S
InChI InChI=1S/C6H6N4S/c1-3-9-4-5(10-3)7-2-8-6(4)11/h2H,1H3,(H2,7,8,9,10,11)
InChIKey VIVHKHHYZLMJQH-UHFFFAOYSA-N
Molecular Weight 166.202 g/mol
SMILES Sc1c2nc([nH]c2ncn1)C
SPLASH splash10-014i-9800000000-8d6bf394e0bb2af13ef5
Source of Spectrum O3-0-1219-0
Synonyms 8-Methyl-1,7-dihydro-6H-purine-6-thione 8-Methyl-3,7-dihydropurine-6-thione 8-Methyl-6-thiopurine 8-Methyl-6-thioxopurine 9H-Purine-6-thiol, 8-methyl-
Wiley ID 1161874