8-Oxo-2,4-diphenyl-1,2,3,4,7,8,9,10-octahydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride hydrate

SpectraBase Compound ID	JRcRFZxrNtA
InChI	InChI=1S/C20H19N5O.ClH.O/c26-18-11-12-24-19(22-18)23-25-17(15-9-5-2-6-10-15)13-16(21-20(24)25)14-7-3-1-4-8-14;;/h1-10,16-17H,11-13H2,(H,22,23,26);1H;
InChIKey	CMYUAPHABKPKLS-UHFFFAOYSA-N Google Search
Mol Weight	397.87 g/mol
Molecular Formula	C20H20ClN5O2
Exact Mass	397.130553 g/mol

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SpectraBase Spectrum ID	GlNbqrwnYuc
Name	8-Oxo-2,4-diphenyl-1,2,3,4,7,8,9,10-octahydro[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride hydrate
Alternate Name(s)	8-Oxo-2,4-diphenyl-1,2,3,4,7,8,9,10-octahydro-[1,2,4]triazolo[1,5-a:4,3-a']dipyrimidin-5-ium chloride hydrate
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H22ClN5O2
InChI	InChI=1S/C20H19N5O.ClH.O/c26-18-11-12-24-19(22-18)23-25-17(15-9-5-2-6-10-15)13-16(21-20(24)25)14-7-3-1-4-8-14;;/h1-10,16-17H,11-13H2,(H,22,23,26);1H;
InChIKey	CMYUAPHABKPKLS-UHFFFAOYSA-N
Molecular Weight	399.882 g/mol
SMILES	O.N1C(CC[n]2c1n[n+]1c2NC(CC1c1ccccc1)c1ccccc1)=O.[Cl-]
SPLASH	splash10-0pdu-9330000000-c2f951213b3496e56163
Source of Spectrum	F-70-694-5b
Wiley ID	1742580