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2-o-nitrobenzylthio-5-piperidinomethyluracil
SpectraBase Compound ID AlzoiPd4nzt
InChI InChI=1S/C17H20N4O3S/c22-16-14(11-20-8-4-1-5-9-20)10-18-17(19-16)25-12-13-6-2-3-7-15(13)21(23)24/h2-3,6-7,10H,1,4-5,8-9,11-12H2,(H,18,19,22)
InChIKey MPCLMDRAZVPPRL-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 4HwvTb1iqRa
Name 2-o-nitrobenzylthio-5-piperidinomethyluracil
Alternate Name(s) 2-((2-nitrobenzyl)thio)-5-(piperidin-1-ylmethyl)pyrimidin-4(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N4O3S
InChI InChI=1S/C17H20N4O3S/c22-16-14(11-20-8-4-1-5-9-20)10-18-17(19-16)25-12-13-6-2-3-7-15(13)21(23)24/h2-3,6-7,10H,1,4-5,8-9,11-12H2,(H,18,19,22)
InChIKey MPCLMDRAZVPPRL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.2338
Molecular Weight 360.432 g/mol
SMILES N1C(=NC=C(C1=O)CN1CCCCC1)SCc1c(cccc1)[N+]([O-])=O
SPLASH splash10-001i-9110000000-4373716de8440d245de7
Source of Spectrum RCM-20-714-1
Wiley ID 1820533