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7-Cyclohexyl-1-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID KXj7u3QyB1x
InChI InChI=1S/C20H17F7N4O2/c21-11-6-8-12(9-7-11)31-15-13(16(32)29-17(31)33)18(19(22,23)24,20(25,26)27)30-14(28-15)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,28,30)(H,29,32,33)
InChIKey KCJADTSJUPEXPF-UHFFFAOYSA-N
Mol Weight 478.37 g/mol
Molecular Formula C20H17F7N4O2
Exact Mass 478.123973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6o5DdTcMon6
Name 7-Cyclohexyl-1-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Alternate Name(s) 7-cyclohexyl-1-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 7-cyclohexyl-1-(4-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
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Formula C20H17F7N4O2
InChI InChI=1S/C20H17F7N4O2/c21-11-6-8-12(9-7-11)31-15-13(16(32)29-17(31)33)18(19(22,23)24,20(25,26)27)30-14(28-15)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,28,30)(H,29,32,33)
InChIKey KCJADTSJUPEXPF-UHFFFAOYSA-N
Molecular Weight 478.371 g/mol
SMILES N1C(N(C2=C(C1=O)C(N=C(N2)C1CCCCC1)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)F)=O
SPLASH splash10-0bt9-9440500000-2645f10d1e56a8e50573
Wiley ID 1443642