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(2-(2-(methylthio)-6-p-tolylpyrimidin-1-ium-1-ylimino)-4-p-tolylpyrimidin-1(2H)-yl)amide
SpectraBase Compound ID DvUNw8QP8ZO
InChI InChI=1S/C23H22N6S/c1-16-4-8-18(9-5-16)20-13-15-28(24)22(26-20)27-29-21(12-14-25-23(29)30-3)19-10-6-17(2)7-11-19/h4-15,24H,1-3H3
InChIKey TYNAVDLBAPPVBM-UHFFFAOYSA-N
Mol Weight 414.53 g/mol
Molecular Formula C23H22N6S
Exact Mass 414.162666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mJdceTX95s
Name (2-(2-(methylthio)-6-p-tolylpyrimidin-1-ium-1-ylimino)-4-p-tolylpyrimidin-1(2H)-yl)amide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22N6S
InChI InChI=1S/C23H22N6S/c1-16-4-8-18(9-5-16)20-13-15-28(24)22(26-20)27-29-21(12-14-25-23(29)30-3)19-10-6-17(2)7-11-19/h4-15,24H,1-3H3
InChIKey TYNAVDLBAPPVBM-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cber.19911241221
Molecular Weight 414.531 g/mol
SMILES [NH-]N1C=CC(c2ccc(cc2)C)=NC1=N[n+]1c(SC)nccc1-c1ccc(cc1)C
SPLASH splash10-014j-9703000000-e0432eaa8d8602403874
Source of Spectrum K-124-2783-2b
Synonyms (2-((2-(methylthio)-6-(p-tolyl)pyrimidin-1-ium-1-yl)imino)-4-(p-tolyl)pyrimidin-1(2H)-yl)amide
Wiley ID 1790444