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2-p-nitrobenzylthio-5-morpholinomethyl-6-methyluracil
SpectraBase Compound ID JlWWaC5AwUJ
InChI InChI=1S/C17H20N4O4S/c1-12-15(10-20-6-8-25-9-7-20)16(22)19-17(18-12)26-11-13-2-4-14(5-3-13)21(23)24/h2-5H,6-11H2,1H3,(H,18,19,22)
InChIKey PRUINIABJIXOLR-UHFFFAOYSA-N
Mol Weight 376.43 g/mol
Molecular Formula C17H20N4O4S
Exact Mass 376.120526 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H06P0542kAn
Name 2-p-nitrobenzylthio-5-morpholinomethyl-6-methyluracil
Alternate Name(s) 6-Methyl-5-(morpholinomethyl)-2-((4-nitrobenzyl)thio)pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N4O4S
InChI InChI=1S/C17H20N4O4S/c1-12-15(10-20-6-8-25-9-7-20)16(22)19-17(18-12)26-11-13-2-4-14(5-3-13)21(23)24/h2-5H,6-11H2,1H3,(H,18,19,22)
InChIKey PRUINIABJIXOLR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.2338
Molecular Weight 376.431 g/mol
SMILES N1C(=NC(=C(C1=O)CN1CCOCC1)C)SCc1ccc(cc1)[N+]([O-])=O
SPLASH splash10-0f79-2910000000-2bb4c494ef98fc00f841
Source of Spectrum RCM-20-714-12
Wiley ID 1820525