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2-m-nitrobenzylthio-1-m-nitrobenzyl-5-morpholinomethyluracil
SpectraBase Compound ID FPOvQmDJEez
InChI InChI=1S/C23H23N5O6S/c29-22-19(14-25-7-9-34-10-8-25)15-26(13-17-3-1-5-20(11-17)27(30)31)23(24-22)35-16-18-4-2-6-21(12-18)28(32)33/h1-6,11-12,15H,7-10,13-14,16H2
InChIKey SCXHNANSCSWZKC-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 B0shmgdO3ln
Name 2-m-nitrobenzylthio-1-m-nitrobenzyl-5-morpholinomethyluracil
Alternate Name(s) 5-(morpholinomethyl)-1-(3-nitrobenzyl)-2-((3-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(14-25-7-9-34-10-8-25)15-26(13-17-3-1-5-20(11-17)27(30)31)23(24-22)35-16-18-4-2-6-21(12-18)28(32)33/h1-6,11-12,15H,7-10,13-14,16H2
InChIKey SCXHNANSCSWZKC-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.2338
Molecular Weight 497.526 g/mol
SMILES C1(N=C(N(C=C1CN1CCOCC1)Cc1cccc(c1)[N+]([O-])=O)SCc1cc(ccc1)[N+](=O)[O-])=O
SPLASH splash10-000i-9712000000-fb60952aee2d2efedfbb
Source of Spectrum RCM-20-714-18
Wiley ID 1820531