(5E)-1-(4-chlorophenyl)-5-{[4-(diethylamino)anilino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione

SpectraBase Compound ID	KbG5SicTrPG
InChI	InChI=1S/C21H21ClN4O3/c1-3-25(4-2)16-11-7-15(8-12-16)23-13-18-19(27)24-21(29)26(20(18)28)17-9-5-14(22)6-10-17/h5-13,23H,3-4H2,1-2H3,(H,24,27,29)/b18-13+
InChIKey	MBKLLNOWILNQMY-QGOAFFKASA-N Google Search
Mol Weight	412.88 g/mol
Molecular Formula	C21H21ClN4O3
Exact Mass	412.130218 g/mol

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SpectraBase Spectrum ID	4md4oMzk99f
Name	(5E)-1-(4-chlorophenyl)-5-{[4-(diethylamino)anilino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C21H21ClN4O3/c1-3-25(4-2)16-11-7-15(8-12-16)23-13-18-19(27)24-21(29)26(20(18)28)17-9-5-14(22)6-10-17/h5-13,23H,3-4H2,1-2H3,(H,24,27,29)/b18-13+
InChIKey	MBKLLNOWILNQMY-QGOAFFKASA-N
NMR Offset	15.3537
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_15149
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: C29831; Labnumber: KKA-9909-11140; SBI_ID: SBI-015152
Synonyms	1-(4-chlorophenyl)-5-{[4-(diethylamino)anilino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	308 °C