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8-([2-(4-Chlorophenoxy)ethyl]sulfanyl)-9H-purin-6-ylamine
SpectraBase Compound ID Dmbk9usxTMD
InChI InChI=1S/C13H12ClN5OS/c14-8-1-3-9(4-2-8)20-5-6-21-13-18-10-11(15)16-7-17-12(10)19-13/h1-4,7H,5-6H2,(H3,15,16,17,18,19)
InChIKey MGRVLCVYSZXKHE-UHFFFAOYSA-N
Mol Weight 321.79 g/mol
Molecular Formula C13H12ClN5OS
Exact Mass 321.045109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CzaLq24hIaC
Name 8-([2-(4-Chlorophenoxy)ethyl]sulfanyl)-9H-purin-6-ylamine
CAS Registry Number 312755-17-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12ClN5OS
InChI InChI=1S/C13H12ClN5OS/c14-8-1-3-9(4-2-8)20-5-6-21-13-18-10-11(15)16-7-17-12(10)19-13/h1-4,7H,5-6H2,(H3,15,16,17,18,19)
InChIKey MGRVLCVYSZXKHE-UHFFFAOYSA-N
Molecular Weight 321.786 g/mol
SMILES [nH]1c(nc2c(ncnc12)N)SCCOc1ccc(cc1)Cl
SPLASH splash10-014i-2900000000-29ef97db6444f4272f04
Source of Spectrum AD-0-2532-0
Synonyms 8-[2-(4-chloranylphenoxy)ethylsulfanyl]-7H-purin-6-amine 8-[2-(4-chlorophenoxy)ethylsulfanyl]-7H-purin-6-amine 8-[2-(4-chlorophenoxy)ethylthio]-7H-purin-6-amine 8-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-9H-purin-6-amine 9H-Purin-6-amine, 8-[2-(4-chlorophenoxy)ethylthio]- [8-[2-(4-chlorophenoxy)ethylthio]-7H-purin-6-yl]amine
Wiley ID 1432229