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8-[(2,1,3-Benzothiadiazol-5-ylmethyl)sulfanyl]-9H-purin-6-amine
SpectraBase Compound ID IDsgjVtQYMv
InChI InChI=1S/C12H9N7S2/c13-10-9-11(15-5-14-10)17-12(16-9)20-4-6-1-2-7-8(3-6)19-21-18-7/h1-3,5H,4H2,(H3,13,14,15,16,17)
InChIKey WWTPTTDEJYFGQB-UHFFFAOYSA-N
Mol Weight 315.37 g/mol
Molecular Formula C12H9N7S2
Exact Mass 315.036086 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5UvlrRUsea
Name 8-[(2,1,3-Benzothiadiazol-5-ylmethyl)sulfanyl]-9H-purin-6-amine
Alternate Name(s) 8-(2,1,3-benzothiadiazol-5-ylmethylsulfanyl)-7H-purin-6-amine 8-(2,1,3-benzothiadiazol-5-ylmethylthio)-7H-purin-6-amine 9H-Purin-6-amine, 8-[(benzo[1,2,5]-thiadiazol-5-yl)methylthio]- [8-(piazthiol-5-ylmethylthio)-7H-purin-6-yl]amine
CAS Registry Number 297763-41-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N7S2
InChI InChI=1S/C12H9N7S2/c13-10-9-11(15-5-14-10)17-12(16-9)20-4-6-1-2-7-8(3-6)19-21-18-7/h1-3,5H,4H2,(H3,13,14,15,16,17)
InChIKey WWTPTTDEJYFGQB-UHFFFAOYSA-N
Molecular Weight 315.373 g/mol
SMILES [nH]1c(nc2c(ncnc12)N)SCc1cc2c(cc1)nsn2
SPLASH splash10-0002-7900000000-600929bff3cca5c546d6
Source of Spectrum AD-0-2532-0
Wiley ID 1424567