6-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-9H-purine

SpectraBase Compound ID	HSWaZNIgj4N
InChI	InChI=1S/C13H10N4O2S/c1-2-9-10(19-7-18-9)3-8(1)4-20-13-11-12(15-5-14-11)16-6-17-13/h1-3,5-6H,4,7H2,(H,14,15,16,17)
InChIKey	KRBFLOBPUMORJO-UHFFFAOYSA-N Google Search
Mol Weight	286.31 g/mol
Molecular Formula	C13H10N4O2S
Exact Mass	286.052447 g/mol

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SpectraBase Spectrum ID	HoJUAYd2P0S
Name	6-[(1,3-Benzodioxol-5-ylmethyl)sulfanyl]-9H-purine
CAS Registry Number	296882-76-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H10N4O2S
InChI	InChI=1S/C13H10N4O2S/c1-2-9-10(19-7-18-9)3-8(1)4-20-13-11-12(15-5-14-11)16-6-17-13/h1-3,5-6H,4,7H2,(H,14,15,16,17)
InChIKey	KRBFLOBPUMORJO-UHFFFAOYSA-N
Molecular Weight	286.309 g/mol
SMILES	[nH]1cnc2c1ncnc2SCc1cc2OCOc2cc1
SPLASH	splash10-0f79-8960000000-4ae5373caaf7dd1014d8
Synonyms	6-(1,3-benzodioxol-5-ylmethylsulfanyl)-7H-purine 6-(1,3-benzodioxol-5-ylmethylthio)-7H-purine 6-(Benzo[1,3]dioxol-5-ylmethylsulfanyl)-9H-purine 6-(piperonylthio)-7H-purine
Wiley ID	1459744