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1-(4-Methoxyphenyl)-7-(phenylmethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID LjvHSjiM0bH
InChI InChI=1S/C22H16F6N4O3/c1-35-14-9-7-13(8-10-14)32-17-16(18(33)30-19(32)34)20(21(23,24)25,22(26,27)28)31-15(29-17)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,29,31)(H,30,33,34)
InChIKey RSMDKPXVLIWQBH-UHFFFAOYSA-N
Mol Weight 498.39 g/mol
Molecular Formula C22H16F6N4O3
Exact Mass 498.112659 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2oF1fWUgqG
Name 1-(4-Methoxyphenyl)-7-(phenylmethyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Alternate Name(s) 7-Benzyl-1-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione 7-Benzyl-1-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 7-Benzyl-1-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
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Formula C22H16F6N4O3
InChI InChI=1S/C22H16F6N4O3/c1-35-14-9-7-13(8-10-14)32-17-16(18(33)30-19(32)34)20(21(23,24)25,22(26,27)28)31-15(29-17)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,29,31)(H,30,33,34)
InChIKey RSMDKPXVLIWQBH-UHFFFAOYSA-N
Molecular Weight 498.385 g/mol
SMILES N1C(N(C2=C(C1=O)C(N=C(N2)Cc1ccccc1)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)OC)=O
SPLASH splash10-004i-6951600000-ba2aa69cd93819d85219
Wiley ID 1443334