1-benzyl-7-cyclohexyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione

SpectraBase Compound ID	1rliLKfhJfd
InChI	InChI=1S/C21H20F6N4O2/c22-20(23,24)19(21(25,26)27)14-16(28-15(30-19)13-9-5-2-6-10-13)31(18(33)29-17(14)32)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,28,30)(H,29,32,33)
InChIKey	BIAYZOGSTUVSIX-UHFFFAOYSA-N Google Search
Mol Weight	474.41 g/mol
Molecular Formula	C21H20F6N4O2
Exact Mass	474.149045 g/mol

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SpectraBase Spectrum ID	HLxwDt0TZHX
Name	1-benzyl-7-cyclohexyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
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/C21H20F6N4O2/c22-20(23,24)19(21(25,26)27)14-16(28-15(30-19)13-9-5-2-6-10-13)31(18(33)29-17(14)32)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,28,30)(H,29,32,33)
InChIKey	BIAYZOGSTUVSIX-UHFFFAOYSA-N
NMR Offset	15.5012
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_SBI_36227_20233
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: D16428; Labnumber: SOK-1199; SBI_ID: SBI-020237
Temperature	315 °C