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1-(4-fluorophenyl)-7-(2-phenylethyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 3vH7CfHsiVi
InChI InChI=1S/C22H15F7N4O2/c23-13-7-9-14(10-8-13)33-17-16(18(34)31-19(33)35)20(21(24,25)26,22(27,28)29)32-15(30-17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,30,32)(H,31,34,35)
InChIKey SZYWDWHIFZJOFO-UHFFFAOYSA-N
Mol Weight 500.38 g/mol
Molecular Formula C22H15F7N4O2
Exact Mass 500.108323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5flhCijPXD
Name 1-(4-Fluorophenyl)-7-(2-phenylethyl)-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 C22H15F7N4O2
InChI InChI=1S/C22H15F7N4O2/c23-13-7-9-14(10-8-13)33-17-16(18(34)31-19(33)35)20(21(24,25)26,22(27,28)29)32-15(30-17)11-6-12-4-2-1-3-5-12/h1-5,7-10H,6,11H2,(H,30,32)(H,31,34,35)
InChIKey SZYWDWHIFZJOFO-UHFFFAOYSA-N
Molecular Weight 500.377 g/mol
SMILES N1C(N(C2=C(C1=O)C(N=C(N2)CCc1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)F)=O
SPLASH splash10-000x-9210200000-4aa61d66b28003fc7524
Synonyms 1-(4-fluorophenyl)-7-phenethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 1-(4-fluorophenyl)-7-phenethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Wiley ID 1443617