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1-Benzyl-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID E0GpQLT4Nn1
InChI InChI=1S/C21H13F7N4O2/c22-13-9-5-4-8-12(13)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,29,31)(H,30,33,34)
InChIKey XZAQTXOMVJMOAI-UHFFFAOYSA-N
Mol Weight 486.35 g/mol
Molecular Formula C21H13F7N4O2
Exact Mass 486.092673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BqrekNlqVcR
Name 1-Benzyl-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Alternate Name(s) 1-Benzyl-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 1-Benzyl-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone 7-(2-fluorophenyl)-1-(phenylmethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
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Formula C21H13F7N4O2
InChI InChI=1S/C21H13F7N4O2/c22-13-9-5-4-8-12(13)15-29-16-14(19(31-15,20(23,24)25)21(26,27)28)17(33)30-18(34)32(16)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,29,31)(H,30,33,34)
InChIKey XZAQTXOMVJMOAI-UHFFFAOYSA-N
Molecular Weight 486.350 g/mol
SMILES N1C(C=2C(N=C(NC2N(Cc2ccccc2)C1=O)c1c(F)cccc1)(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-0006-9200200000-abcacd75430d5afd39fb
Wiley ID 1442467