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

SpectraBase Compound ID	7gwaYdPePH7
InChI	InChI=1S/C23H27N5O4/c1-15-19(22(31)28(26(15)2)17-12-8-5-9-13-17)24-14-18-20(29)25-23(32)27(21(18)30)16-10-6-3-4-7-11-16/h5,8-9,12-14,16,24H,3-4,6-7,10-11H2,1-2H3,(H,25,29,32)/b18-14+
InChIKey	KNRJTQCUZMSBCO-NBVRZTHBSA-N Google Search
Mol Weight	437.5 g/mol
Molecular Formula	C23H27N5O4
Exact Mass	437.206304 g/mol

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SpectraBase Spectrum ID	9gl4FCFMs6J
Name	(5E)-1-cycloheptyl-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]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/C23H27N5O4/c1-15-19(22(31)28(26(15)2)17-12-8-5-9-13-17)24-14-18-20(29)25-23(32)27(21(18)30)16-10-6-3-4-7-11-16/h5,8-9,12-14,16,24H,3-4,6-7,10-11H2,1-2H3,(H,25,29,32)/b18-14+
InChIKey	KNRJTQCUZMSBCO-NBVRZTHBSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_29095
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: D90926; Labnumber: KKA-0211-3687; SBI_ID: SBI-029099
Synonyms	1-cycloheptyl-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Temperature	318 °C