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

SpectraBase Compound ID	KloSIMLcj2s
InChI	InChI=1S/C18H9F7N4O2S/c19-8-3-5-9(6-4-8)29-13-11(14(30)27-15(29)31)16(17(20,21)22,18(23,24)25)28-12(26-13)10-2-1-7-32-10/h1-7H,(H,26,28)(H,27,30,31)
InChIKey	JHTGQXWAHGCPLU-UHFFFAOYSA-N Google Search
Mol Weight	478.34 g/mol
Molecular Formula	C18H9F7N4O2S
Exact Mass	478.033444 g/mol

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SpectraBase Spectrum ID	8p5jpO9PhFm
Name	1-(4-fluorophenyl)-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Alternate Name(s)	1-(4-fluorophenyl)-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone 1-(4-fluorophenyl)-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H9F7N4O2S
InChI	InChI=1S/C18H9F7N4O2S/c19-8-3-5-9(6-4-8)29-13-11(14(30)27-15(29)31)16(17(20,21)22,18(23,24)25)28-12(26-13)10-2-1-7-32-10/h1-7H,(H,26,28)(H,27,30,31)
InChIKey	JHTGQXWAHGCPLU-UHFFFAOYSA-N
Molecular Weight	478.345 g/mol
SMILES	N1C(N(C2=C(C1=O)C(N=C(N2)c1sccc1)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)F)=O
SPLASH	splash10-0bt9-9751700000-e7202303c5a88a362655
Wiley ID	1443000