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2-p-nitrobenzylthio-1-p-nitrobenzyl-5-morpholinomethyluracil
SpectraBase Compound ID DH8IPhf54SW
InChI InChI=1S/C23H23N5O6S/c29-22-19(14-25-9-11-34-12-10-25)15-26(13-17-1-5-20(6-2-17)27(30)31)23(24-22)35-16-18-3-7-21(8-4-18)28(32)33/h1-8,15H,9-14,16H2
InChIKey ZTPJRFKWTXWSJT-UHFFFAOYSA-N
Mol Weight 497.53 g/mol
Molecular Formula C23H23N5O6S
Exact Mass 497.136905 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsEyoBnNMFZ
Name 2-p-nitrobenzylthio-1-p-nitrobenzyl-5-morpholinomethyluracil
Alternate Name(s) 5-(morpholinomethyl)-1-(4-nitrobenzyl)-2-((4-nitrobenzyl)thio)pyrimidin-4(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23N5O6S
InChI InChI=1S/C23H23N5O6S/c29-22-19(14-25-9-11-34-12-10-25)15-26(13-17-1-5-20(6-2-17)27(30)31)23(24-22)35-16-18-3-7-21(8-4-18)28(32)33/h1-8,15H,9-14,16H2
InChIKey ZTPJRFKWTXWSJT-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.2338
Molecular Weight 497.526 g/mol
SMILES C1(N=C(N(C=C1CN1CCOCC1)Cc1ccc(cc1)[N+]([O-])=O)SCc1ccc(cc1)[N+]([O-])=O)=O
SPLASH splash10-000i-9711000000-c88b1d65217bacfca6e2
Source of Spectrum RCM-20-714-22
Wiley ID 1820536