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(5E)-5-[(2-methyl-1H-indol-3-yl)methylene]-1-[3-(trifluoromethyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID t0U6ngVDc5
InChI InChI=1S/C21H14F3N3O3/c1-11-15(14-7-2-3-8-17(14)25-11)10-16-18(28)26-20(30)27(19(16)29)13-6-4-5-12(9-13)21(22,23)24/h2-10,25H,1H3,(H,26,28,30)/b16-10+
InChIKey FFRNBXBEOXIFKN-MHWRWJLKSA-N
Mol Weight 413.36 g/mol
Molecular Formula C21H14F3N3O3
Exact Mass 413.098726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KMXpNn5BZ2S
Name (5E)-5-[(2-methyl-1H-indol-3-yl)methylene]-1-[3-(trifluoromethyl)phenyl]barbituric acid
Alternate Name(s) (5E)-5-[(2-methyl-1H-indol-3-yl)methylene]-1-[3-(trifluoromethyl)phenyl]hexahydropyrimidine-2,4,6-trione (5E)-5-[(2-methyl-1H-indol-3-yl)methylidene]-1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
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Formula C21H14F3N3O3
InChI InChI=1S/C21H14F3N3O3/c1-11-15(14-7-2-3-8-17(14)25-11)10-16-18(28)26-20(30)27(19(16)29)13-6-4-5-12(9-13)21(22,23)24/h2-10,25H,1H3,(H,26,28,30)/b16-10+
InChIKey FFRNBXBEOXIFKN-MHWRWJLKSA-N
Molecular Weight 413.356 g/mol
SMILES N1C(\C(=C/c2c([nH]c3c2cccc3)C)C(N(C1=O)c1cc(C(F)(F)F)ccc1)=O)=O
SPLASH splash10-116r-3910100000-6e3317bea9be8bec22e2
Wiley ID 1463501