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1-(4-Chlorophenyl)-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 5hkXyDTKeBY
InChI InChI=1S/C20H10ClF7N4O2/c21-9-5-7-10(8-6-9)32-15-13(16(33)30-17(32)34)18(19(23,24)25,20(26,27)28)31-14(29-15)11-3-1-2-4-12(11)22/h1-8H,(H,29,31)(H,30,33,34)
InChIKey PVUHDCPFXSWKIP-UHFFFAOYSA-N
Mol Weight 506.77 g/mol
Molecular Formula C20H10ClF7N4O2
Exact Mass 506.03805 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79Zg9EQaSLm
Name 1-(4-Chlorophenyl)-7-(2-fluorophenyl)-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 C20H10ClF7N4O2
InChI InChI=1S/C20H10ClF7N4O2/c21-9-5-7-10(8-6-9)32-15-13(16(33)30-17(32)34)18(19(23,24)25,20(26,27)28)31-14(29-15)11-3-1-2-4-12(11)22/h1-8H,(H,29,31)(H,30,33,34)
InChIKey PVUHDCPFXSWKIP-UHFFFAOYSA-N
Molecular Weight 506.768 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)Cl)=O
SPLASH splash10-01p9-6950500000-e6da9e8f0ef65eb57497
Synonyms 1-(4-Chlorophenyl)-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 1-(4-Chlorophenyl)-7-(2-fluorophenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Wiley ID 1443614