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9-Methyl-2,8-bis(methylsulfanyl)-1,9-dihydro-6H-purin-6-one
SpectraBase Compound ID CmPRxUaq0LP
InChI InChI=1S/C8H10N4OS2/c1-12-5-4(9-8(12)15-3)6(13)11-7(10-5)14-2/h1-3H3,(H,10,11,13)
InChIKey HUXIHSGMOVVEPU-UHFFFAOYSA-N
Mol Weight 242.31 g/mol
Molecular Formula C8H10N4OS2
Exact Mass 242.029603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1EcOeCb5ou
Name 9-Methyl-2,8-bis(methylsulfanyl)-1,9-dihydro-6H-purin-6-one
CAS Registry Number 39062-23-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H10N4OS2
InChI InChI=1S/C8H10N4OS2/c1-12-5-4(9-8(12)15-3)6(13)11-7(10-5)14-2/h1-3H3,(H,10,11,13)
InChIKey HUXIHSGMOVVEPU-UHFFFAOYSA-N
Molecular Weight 242.315 g/mol
SMILES N1C(c2c(N=C1SC)[n](c(n2)SC)C)=O
SPLASH splash10-006y-9320000000-7df652e0e90d71bd2730
Source of Spectrum AD-0-2532-0
Synonyms 9-Methyl-2,8-bis(methylsulfanyl)-3H-purin-6-one 9-Methyl-2,8-bis(methylthio)-3H-purin-6-one 9H-Purin-6(1H)-one, 9-methyl-2,8-di(methylthio)-
Wiley ID 1424102