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2-m-nitrobenzylthio-5-piperidinomethyluracil
SpectraBase Compound ID LmK4nWxMK9Z
InChI InChI=1S/C17H20N4O3S/c22-16-14(11-20-7-2-1-3-8-20)10-18-17(19-16)25-12-13-5-4-6-15(9-13)21(23)24/h4-6,9-10H,1-3,7-8,11-12H2,(H,18,19,22)
InChIKey DPSMQGRRLLZBHO-UHFFFAOYSA-N
Mol Weight 360.43 g/mol
Molecular Formula C17H20N4O3S
Exact Mass 360.125612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7xwkl2tiWY
Name 2-m-nitrobenzylthio-5-piperidinomethyluracil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N4O3S
InChI InChI=1S/C17H20N4O3S/c22-16-14(11-20-7-2-1-3-8-20)10-18-17(19-16)25-12-13-5-4-6-15(9-13)21(23)24/h4-6,9-10H,1-3,7-8,11-12H2,(H,18,19,22)
InChIKey DPSMQGRRLLZBHO-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.2338
Molecular Weight 360.432 g/mol
SMILES N1C(=NC=C(C1=O)CN1CCCCC1)SCc1cc(ccc1)[N+](=O)[O-]
SPLASH splash10-001i-9310000000-e53ace43491b4a8b68c1
Source of Spectrum RCM-20-714-5
Synonyms 2-((3-nitrobenzyl)thio)-5-(piperidin-1-ylmethyl)pyrimidin-4(3H)-one
Wiley ID 1820542