4,6-Bis[(4-ethoxybenzyl)sulfanyl]-5-nitropyrimidine

SpectraBase Compound ID	CDLI4irPHcT
InChI	InChI=1S/C22H23N3O4S2/c1-3-28-18-9-5-16(6-10-18)13-30-21-20(25(26)27)22(24-15-23-21)31-14-17-7-11-19(12-8-17)29-4-2/h5-12,15H,3-4,13-14H2,1-2H3
InChIKey	PDFVJYFCEIFTOS-UHFFFAOYSA-N Google Search
Mol Weight	457.56 g/mol
Molecular Formula	C22H23N3O4S2
Exact Mass	457.112999 g/mol

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SpectraBase Spectrum ID	BuchsGHGlOf
Name	4,6-BIS(4-METHOXYBENZYLTHIO)-5-NITROPYRIMIDINE
Copyright	Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula	C22H23N3O4S2
InChI	InChI=1S/C22H23N3O4S2/c1-3-28-18-9-5-16(6-10-18)13-30-21-20(25(26)27)22(24-15-23-21)31-14-17-7-11-19(12-8-17)29-4-2/h5-12,15H,3-4,13-14H2,1-2H3
InChIKey	PDFVJYFCEIFTOS-UHFFFAOYSA-N
Molecular Weight	457.1125
SMILES	c1(SCc2ccc(OCC)cc2)ncnc(SCc2ccc(OCC)cc2)c1N(=O)=O
SPLASH	splash10-052r-1900000000-8097a9bbfd36eaa09b28
Source of Spectrum	Chemical Concepts, A Wiley Division, Weinheim, Germany