2-(4-Methylphenyl)-8-oxo-4-phenyl-1,2,3,4,7,8,9,10-octahydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride

SpectraBase Compound ID	F6qc8Kovzrf
InChI	InChI=1S/C21H21N5O.ClH/c1-14-7-9-15(10-8-14)17-13-18(16-5-3-2-4-6-16)26-21(22-17)25-12-11-19(27)23-20(25)24-26;/h2-10,17-18H,11-13H2,1H3,(H,23,24,27);1H
InChIKey	GQPCDMHOHQECAU-UHFFFAOYSA-N Google Search
Mol Weight	395.89 g/mol
Molecular Formula	C21H22ClN5O
Exact Mass	395.151288 g/mol

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SpectraBase Spectrum ID	BRFaXnLuhdw
Name	2-(4-Methylphenyl)-8-oxo-4-phenyl-1,2,3,4,7,8,9,10-octahydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H22ClN5O
InChI	InChI=1S/C21H21N5O.ClH/c1-14-7-9-15(10-8-14)17-13-18(16-5-3-2-4-6-16)26-21(22-17)25-12-11-19(27)23-20(25)24-26;/h2-10,17-18H,11-13H2,1H3,(H,23,24,27);1H
InChIKey	GQPCDMHOHQECAU-UHFFFAOYSA-N
Molecular Weight	395.894 g/mol
SMILES	[Cl-].N1C(CC[n]2c1n[n+]1c2NC(CC1c1ccccc1)c1ccc(C)cc1)=O
SPLASH	splash10-0udi-3190000000-a2a76069438e641a8ac6
Source of Spectrum	F-70-694-5c
Synonyms	8-Oxo-4-phenyl-2-(p-tolyl)-1,2,3,4,7,8,9,10-octahydro-[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride
Wiley ID	1742579