(5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-[2-(4-fluorophenyl)ethyl]-2,4,6(1H,3H,5H)-pyrimidinetrione

SpectraBase Compound ID	HqzeKutk3jW
InChI	InChI=1S/C21H18FN3O5/c22-15-4-1-13(2-5-15)7-8-25-20(27)16(19(26)24-21(25)28)11-23-10-14-3-6-17-18(9-14)30-12-29-17/h1-6,9,11,23H,7-8,10,12H2,(H,24,26,28)/b16-11-
InChIKey	VMQCDHZIZSZRRG-WJDWOHSUSA-N Google Search
Mol Weight	411.39 g/mol
Molecular Formula	C21H18FN3O5
Exact Mass	411.123049 g/mol

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SpectraBase Spectrum ID	DPNnTMlEmxX
Name	(5Z)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-[2-(4-fluorophenyl)ethyl]-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/C21H18FN3O5/c22-15-4-1-13(2-5-15)7-8-25-20(27)16(19(26)24-21(25)28)11-23-10-14-3-6-17-18(9-14)30-12-29-17/h1-6,9,11,23H,7-8,10,12H2,(H,24,26,28)/b16-11-
InChIKey	VMQCDHZIZSZRRG-WJDWOHSUSA-N
NMR Offset	15.449
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_8962
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: D40086; Labnumber: KKA-0211-0351; SBI_ID: SBI-008965
Synonyms	5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylene}-1-[2-(4-fluorophenyl)ethyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	308 °C