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7-(2-Fluorophenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID u17t2djHoA
InChI InChI=1S/C21H13F7N4O2/c1-10-6-8-11(9-7-10)32-16-14(17(33)30-18(32)34)19(20(23,24)25,21(26,27)28)31-15(29-16)12-4-2-3-5-13(12)22/h2-9H,1H3,(H,29,31)(H,30,33,34)
InChIKey MLGYBVWTSOMBQS-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 DaqJdFRS0Rh
Name 7-(2-Fluorophenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13F7N4O2
InChI InChI=1S/C21H13F7N4O2/c1-10-6-8-11(9-7-10)32-16-14(17(33)30-18(32)34)19(20(23,24)25,21(26,27)28)31-15(29-16)12-4-2-3-5-13(12)22/h2-9H,1H3,(H,29,31)(H,30,33,34)
InChIKey MLGYBVWTSOMBQS-UHFFFAOYSA-N
Molecular Weight 486.350 g/mol
SMILES N1C(N(C2=C(C1=O)C(N=C(N2)c1c(cccc1)F)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)C)=O
SPLASH splash10-014i-6770900000-25e6067df38be9f7d366
Synonyms 7-(2-fluorophenyl)-1-(4-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 7-(2-fluorophenyl)-1-(p-tolyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 7-(2-fluorophenyl)-1-(p-tolyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Wiley ID 1443333