(5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylene}-1-(4-fluorobenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

SpectraBase Compound ID	KL2g6Gv5aNT
InChI	InChI=1S/C23H20FN5O4/c1-14-19(22(32)29(27(14)2)17-6-4-3-5-7-17)25-12-18-20(30)26-23(33)28(21(18)31)13-15-8-10-16(24)11-9-15/h3-12,25H,13H2,1-2H3,(H,26,30,33)/b18-12+
InChIKey	IWGQCVNAPZVRGO-LDADJPATSA-N Google Search
Mol Weight	449.44 g/mol
Molecular Formula	C23H20FN5O4
Exact Mass	449.149932 g/mol

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SpectraBase Spectrum ID	iOHchJ5IVZ
Name	(5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylene}-1-(4-fluorobenzyl)-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/C23H20FN5O4/c1-14-19(22(32)29(27(14)2)17-6-4-3-5-7-17)25-12-18-20(30)26-23(33)28(21(18)31)13-15-8-10-16(24)11-9-15/h3-12,25H,13H2,1-2H3,(H,26,30,33)/b18-12+
InChIKey	IWGQCVNAPZVRGO-LDADJPATSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_17592
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: D28715; Labnumber: KKA-0211-1827; SBI_ID: SBI-017595
Synonyms	5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylene}-1-(4-fluorobenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	308 °C