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1-(4-fluorophenyl)-7-(4-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione

View entire compound with spectra: 1 MS (GC)

1-(4-fluorophenyl)-7-(4-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID 78UNrvnn4FV
InChI InChI=1S/C19H10F7N5O2/c20-10-1-3-11(4-2-10)31-14-12(15(32)29-16(31)33)17(18(21,22)23,19(24,25)26)30-13(28-14)9-5-7-27-8-6-9/h1-8H,(H,28,30)(H,29,32,33)
InChIKey PHAIXSIRWFRIKN-UHFFFAOYSA-N
Mol Weight 473.31 g/mol
Molecular Formula C19H10F7N5O2
Exact Mass 473.072272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6Mz11kdaMld
Name 1-(4-fluorophenyl)-7-(4-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Alternate Name(s) 1-(4-fluorophenyl)-7-(4-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone 1-(4-fluorophenyl)-7-pyridin-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
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Formula C19H10F7N5O2
InChI InChI=1S/C19H10F7N5O2/c20-10-1-3-11(4-2-10)31-14-12(15(32)29-16(31)33)17(18(21,22)23,19(24,25)26)30-13(28-14)9-5-7-27-8-6-9/h1-8H,(H,28,30)(H,29,32,33)
InChIKey PHAIXSIRWFRIKN-UHFFFAOYSA-N
Molecular Weight 473.311 g/mol
SMILES N1C(N(C2=C(C1=O)C(N=C(N2)c1ccncc1)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)F)=O
SPLASH splash10-0zfs-9651500000-2120146686c54fd078b3
Wiley ID 1443645