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9-Methyl-6-(phenylthio)-8-bromo-9H-purine

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9-Methyl-6-(phenylthio)-8-bromo-9H-purine
SpectraBase Compound ID JGJNQrhAVyu
InChI InChI=1S/C12H9BrN4S/c1-17-10-9(16-12(17)13)11(15-7-14-10)18-8-5-3-2-4-6-8/h2-7H,1H3
InChIKey OKEICVRHDYEKNI-UHFFFAOYSA-N
Mol Weight 321.2 g/mol
Molecular Formula C12H9BrN4S
Exact Mass 319.97313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LhBnEXVlg
Name 9-Methyl-6-(phenylthio)-8-bromo-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9BrN4S
InChI InChI=1S/C12H9BrN4S/c1-17-10-9(16-12(17)13)11(15-7-14-10)18-8-5-3-2-4-6-8/h2-7H,1H3
InChIKey OKEICVRHDYEKNI-UHFFFAOYSA-N
Molecular Weight 321.196 g/mol
SMILES c1([n](c2c(n1)c(ncn2)Sc1ccccc1)C)Br
SPLASH splash10-00xr-0109000000-3e6bf8ab2dcf3f3640e6
Source of Spectrum AF-48-721-55
Synonyms 8-Bromo-9-methyl-6-phenylsulfanylpurine 8-Bromo-9-methyl-6-phenylsulfanyl-purine 8-Bromanyl-9-methyl-6-phenylsulfanyl-purine
Wiley ID 1693826