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2-m-nitrobenzylthio-1-m-nitrobenzyl-5-morpholinomethyl-6-methyluracil
SpectraBase Compound ID FULkpAraeOc
InChI InChI=1S/C24H25N5O6S/c1-17-22(15-26-8-10-35-11-9-26)23(30)25-24(36-16-19-5-3-7-21(13-19)29(33)34)27(17)14-18-4-2-6-20(12-18)28(31)32/h2-7,12-13H,8-11,14-16H2,1H3
InChIKey YCEKBBHFQZMUSA-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 4PWLxfW0bTg
Name 2-m-nitrobenzylthio-1-m-nitrobenzyl-5-morpholinomethyl-6-methyluracil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H25N5O6S
InChI InChI=1S/C24H25N5O6S/c1-17-22(15-26-8-10-35-11-9-26)23(30)25-24(36-16-19-5-3-7-21(13-19)29(33)34)27(17)14-18-4-2-6-20(12-18)28(31)32/h2-7,12-13H,8-11,14-16H2,1H3
InChIKey YCEKBBHFQZMUSA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.2338
Molecular Weight 511.553 g/mol
SMILES C1(N=C(N(C(=C1CN1CCOCC1)C)Cc1cccc(c1)[N+]([O-])=O)SCc1cc(ccc1)[N+](=O)[O-])=O
SPLASH splash10-000i-6911020000-6b316d055dc009129d46
Source of Spectrum RCM-20-714-20
Synonyms 6-Methyl-5-(morpholinomethyl)-1-(3-nitrobenzyl)-2-((3-nitrobenzyl)thio)pyrimidin-4(1H)-one
Wiley ID 1820534