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2-p-nitrobenzylthio-1-p-nitrobenzyl-5-morpholinomethyl-6-methyluracil
SpectraBase Compound ID 1kJz5Nt7Hbf
InChI InChI=1S/C24H25N5O6S/c1-17-22(15-26-10-12-35-13-11-26)23(30)25-24(36-16-19-4-8-21(9-5-19)29(33)34)27(17)14-18-2-6-20(7-3-18)28(31)32/h2-9H,10-16H2,1H3
InChIKey JRXJWYJFUOVGPF-UHFFFAOYSA-N
Mol Weight 511.55 g/mol
Molecular Formula C24H25N5O6S
Exact Mass 511.152555 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EUrFsXD0K7K
Name 2-p-nitrobenzylthio-1-p-nitrobenzyl-5-morpholinomethyl-6-methyluracil
Alternate Name(s) 6-Methyl-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 C24H25N5O6S
InChI InChI=1S/C24H25N5O6S/c1-17-22(15-26-10-12-35-13-11-26)23(30)25-24(36-16-19-4-8-21(9-5-19)29(33)34)27(17)14-18-2-6-20(7-3-18)28(31)32/h2-9H,10-16H2,1H3
InChIKey JRXJWYJFUOVGPF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.2338
Molecular Weight 511.553 g/mol
SMILES C1(N=C(N(C(=C1CN1CCOCC1)C)Cc1ccc(cc1)[N+]([O-])=O)SCc1ccc(cc1)[N+]([O-])=O)=O
SPLASH splash10-01p9-2911050000-c066b28eba931a057488
Source of Spectrum RCM-20-714-24
Wiley ID 1820538