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

SpectraBase Compound ID	JaKdLQuHOYf
InChI	InChI=1S/C21H13ClF6N4O3/c1-35-13-8-6-12(7-9-13)32-16-14(17(33)30-18(32)34)19(20(23,24)25,21(26,27)28)31-15(29-16)10-2-4-11(22)5-3-10/h2-9H,1H3,(H,29,31)(H,30,33,34)
InChIKey	SSALUNUFORQWMI-UHFFFAOYSA-N Google Search
Mol Weight	518.8 g/mol
Molecular Formula	C21H13ClF6N4O3
Exact Mass	518.058037 g/mol

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SpectraBase Spectrum ID	B4SrPBdYyLw
Name	7-(4-Chlorophenyl)-1-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Alternate Name(s)	7-(4-Chlorophenyl)-1-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 7-(4-Chlorophenyl)-1-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H13ClF6N4O3
InChI	InChI=1S/C21H13ClF6N4O3/c1-35-13-8-6-12(7-9-13)32-16-14(17(33)30-18(32)34)19(20(23,24)25,21(26,27)28)31-15(29-16)10-2-4-11(22)5-3-10/h2-9H,1H3,(H,29,31)(H,30,33,34)
InChIKey	SSALUNUFORQWMI-UHFFFAOYSA-N
Molecular Weight	518.803 g/mol
SMILES	N1C(N(C2=C(C1=O)C(N=C(N2)c1ccc(cc1)Cl)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)OC)=O
SPLASH	splash10-0f92-5951610000-acf22b06922d5583174c
Wiley ID	1443208