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2-m-nitrobenzylthio-5-piperidinomethyl-6-methyluracil
SpectraBase Compound ID LR71u3g6XkS
InChI InChI=1S/C18H22N4O3S/c1-13-16(11-21-8-3-2-4-9-21)17(23)20-18(19-13)26-12-14-6-5-7-15(10-14)22(24)25/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,19,20,23)
InChIKey XWAPILSWMYBQGG-UHFFFAOYSA-N
Mol Weight 374.46 g/mol
Molecular Formula C18H22N4O3S
Exact Mass 374.141262 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L33ifpEkMVC
Name 2-m-nitrobenzylthio-5-piperidinomethyl-6-methyluracil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N4O3S
InChI InChI=1S/C18H22N4O3S/c1-13-16(11-21-8-3-2-4-9-21)17(23)20-18(19-13)26-12-14-6-5-7-15(10-14)22(24)25/h5-7,10H,2-4,8-9,11-12H2,1H3,(H,19,20,23)
InChIKey XWAPILSWMYBQGG-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.2338
Molecular Weight 374.459 g/mol
SMILES N1C(=NC(=C(C1=O)CN1CCCCC1)C)SCc1cc(ccc1)[N+](=O)[O-]
SPLASH splash10-001a-9400000000-7dd017d31a3752bf2f7f
Source of Spectrum RCM-20-714-7
Synonyms 6-Methyl-2-((3-nitrobenzyl)thio)-5-(piperidin-1-ylmethyl)pyrimidin-4(3H)-one
Wiley ID 1820544