6-[(2-Phenylethyl)sulfanyl]-7H-purine

SpectraBase Compound ID	DSJhCvVcYh7
InChI	InChI=1S/C13H12N4S/c1-2-4-10(5-3-1)6-7-18-13-11-12(15-8-14-11)16-9-17-13/h1-5,8-9H,6-7H2,(H,14,15,16,17)
InChIKey	VCGOEBQQKCPKEN-UHFFFAOYSA-N Google Search
Mol Weight	256.33 g/mol
Molecular Formula	C13H12N4S
Exact Mass	256.078268 g/mol

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SpectraBase Spectrum ID	KtuHotHHaC8
Name	6-[(2-Phenylethyl)sulfanyl]-7H-purine
Alternate Name(s)	1H-Purine, 6-((2-phenylethyl)thio)- 6-(Phenethylthio)-7H-purine 6-Phenethylsulfanyl-7H-purine 7H-Purine, 6-(2-phenethyl)thio- 6-(2-phenylethylthio)-7H-purine
CAS Registry Number	5443-90-3
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C13H12N4S
InChI	InChI=1S/C13H12N4S/c1-2-4-10(5-3-1)6-7-18-13-11-12(15-8-14-11)16-9-17-13/h1-5,8-9H,6-7H2,(H,14,15,16,17)
InChIKey	VCGOEBQQKCPKEN-UHFFFAOYSA-N
Molecular Weight	256.327 g/mol
SMILES	[nH]1cnc2c1c(ncn2)SCCc1ccccc1
SPLASH	splash10-0udi-2900000000-11db671be71705b91b40
Source of Spectrum	AD-0-2532-0
Wiley ID	1432940