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1-Phenyl-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-Phenyl-7-(4-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID ARf1CHnK69o
InChI InChI=1S/C19H11F6N5O2/c20-18(21,22)17(19(23,24)25)12-14(27-13(29-17)10-6-8-26-9-7-10)30(16(32)28-15(12)31)11-4-2-1-3-5-11/h1-9H,(H,27,29)(H,28,31,32)
InChIKey JBMXIJXYMUGMLN-UHFFFAOYSA-N
Mol Weight 455.32 g/mol
Molecular Formula C19H11F6N5O2
Exact Mass 455.081694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J01wYTBMqNB
Name 1-Phenyl-7-(4-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Alternate Name(s) 1-Phenyl-7-(4-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone 1-Phenyl-7-pyridin-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
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Formula C19H11F6N5O2
InChI InChI=1S/C19H11F6N5O2/c20-18(21,22)17(19(23,24)25)12-14(27-13(29-17)10-6-8-26-9-7-10)30(16(32)28-15(12)31)11-4-2-1-3-5-11/h1-9H,(H,27,29)(H,28,31,32)
InChIKey JBMXIJXYMUGMLN-UHFFFAOYSA-N
Molecular Weight 455.320 g/mol
SMILES N1C(N(C2=C(C1=O)C(N=C(N2)c1ccncc1)(C(F)(F)F)C(F)(F)F)c1ccccc1)=O
SPLASH splash10-004r-9624000000-01282544f310e5cc9b26
Wiley ID 1443657