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8-(Benzylsulfanyl)-9H-purin-6-amine
SpectraBase Compound ID JDZzUGC63OZ
InChI InChI=1S/C12H11N5S/c13-10-9-11(15-7-14-10)17-12(16-9)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChIKey FLHZFBJOKAZFGO-UHFFFAOYSA-N
Mol Weight 257.31 g/mol
Molecular Formula C12H11N5S
Exact Mass 257.073517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CrY4PM4rGg9
Name 8-(Benzylsulfanyl)-9H-purin-6-amine
CAS Registry Number 6332-12-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N5S
InChI InChI=1S/C12H11N5S/c13-10-9-11(15-7-14-10)17-12(16-9)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChIKey FLHZFBJOKAZFGO-UHFFFAOYSA-N
Molecular Weight 257.315 g/mol
SMILES [nH]1c(nc2c(ncnc12)N)SCc1ccccc1
SPLASH splash10-0006-9110000000-8b73558ddc66ef383581
Source of Spectrum AD-0-2532-0
Synonyms 8-(Phenylmethylsulfanyl)-7H-purin-6-amine 8-(Phenylmethylthio)-7H-purin-6-amine 8-Benzylsulfanyl-7H-purin-6-amine Adenine, 8-benzylthio- [8-(benzylthio)-7H-purin-6-yl]amine
Wiley ID 1423328