N-(3,4-dichlorophenyl)-N'-{(E)-[(4,6-dimethyl-2-pyrimidinyl)amino][3-(trifluoromethyl)anilino]methylidene}urea

SpectraBase Compound ID	2ivuKjTtT4Y
InChI	InChI=1S/C21H17Cl2F3N6O/c1-11-8-12(2)28-18(27-11)31-19(29-14-5-3-4-13(9-14)21(24,25)26)32-20(33)30-15-6-7-16(22)17(23)10-15/h3-10H,1-2H3,(H3,27,28,29,30,31,32,33)
InChIKey	VQZIJNYRWTUAJU-UHFFFAOYSA-N Google Search
Mol Weight	497.31 g/mol
Molecular Formula	C21H17Cl2F3N6O
Exact Mass	496.079299 g/mol

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SpectraBase Spectrum ID	4NbBZoX4uAg
Name	N-(3,4-dichlorophenyl)-N'-{(E)-[(4,6-dimethyl-2-pyrimidinyl)amino][3-(trifluoromethyl)anilino]methylidene}urea
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/C21H17Cl2F3N6O/c1-11-8-12(2)28-18(27-11)31-19(29-14-5-3-4-13(9-14)21(24,25)26)32-20(33)30-15-6-7-16(22)17(23)10-15/h3-10H,1-2H3,(H3,27,28,29,30,31,32,33)
InChIKey	VQZIJNYRWTUAJU-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_14064
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: 201098; Labnumber: VOR7-0651; VK_ID: VK-014069
Synonyms	N-(3,4-dichlorophenyl)-N'-{[(4,6-dimethyl-2-pyrimidinyl)amino][3-(trifluoromethyl)anilino]methylidene}urea
Temperature	315 °C