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2-p-nitrobenzylthio-1-p-nitrobenzyl-5-piperidinomethyl-6-methyluracil
SpectraBase Compound ID G1LnQWtr3rF
InChI InChI=1S/C25H27N5O5S/c1-18-23(16-27-13-3-2-4-14-27)24(31)26-25(36-17-20-7-11-22(12-8-20)30(34)35)28(18)15-19-5-9-21(10-6-19)29(32)33/h5-12H,2-4,13-17H2,1H3
InChIKey KQYIVAIAAXALFN-UHFFFAOYSA-N
Mol Weight 509.58 g/mol
Molecular Formula C25H27N5O5S
Exact Mass 509.17329 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JrSSzh3NmA
Name 2-p-nitrobenzylthio-1-p-nitrobenzyl-5-piperidinomethyl-6-methyluracil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27N5O5S
InChI InChI=1S/C25H27N5O5S/c1-18-23(16-27-13-3-2-4-14-27)24(31)26-25(36-17-20-7-11-22(12-8-20)30(34)35)28(18)15-19-5-9-21(10-6-19)29(32)33/h5-12H,2-4,13-17H2,1H3
InChIKey KQYIVAIAAXALFN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/rcm.2338
Molecular Weight 509.581 g/mol
SMILES C1(N=C(N(C(=C1CN1CCCCC1)C)Cc1ccc(cc1)[N+]([O-])=O)SCc1ccc(cc1)[N+]([O-])=O)=O
SPLASH splash10-001r-9300010000-863459a8da8d9007de16
Source of Spectrum RCM-20-714-23
Synonyms 6-Methyl-1-(4-nitrobenzyl)-2-((4-nitrobenzyl)thio)-5-(piperidin-1-ylmethyl)pyrimidin-4(1H)-one
Wiley ID 1820537