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7-(4-Chlorophenyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID D3zXt29L9UP
InChI InChI=1S/C26H23ClF6N4O4/c1-3-40-17-10-5-14(13-18(17)41-4-2)11-12-37-21-19(22(38)35-23(37)39)24(25(28,29)30,26(31,32)33)36-20(34-21)15-6-8-16(27)9-7-15/h5-10,13H,3-4,11-12H2,1-2H3,(H,34,36)(H,35,38,39)
InChIKey VTZNGBPIOAMMHE-UHFFFAOYSA-N
Mol Weight 604.94 g/mol
Molecular Formula C26H23ClF6N4O4
Exact Mass 604.131202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C915sY7w9tL
Name 7-(4-Chlorophenyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
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Formula C26H23ClF6N4O4
InChI InChI=1S/C26H23ClF6N4O4/c1-3-40-17-10-5-14(13-18(17)41-4-2)11-12-37-21-19(22(38)35-23(37)39)24(25(28,29)30,26(31,32)33)36-20(34-21)15-6-8-16(27)9-7-15/h5-10,13H,3-4,11-12H2,1-2H3,(H,34,36)(H,35,38,39)
InChIKey VTZNGBPIOAMMHE-UHFFFAOYSA-N
Molecular Weight 604.937 g/mol
SMILES N1C(C=2C(N=C(NC2N(CCc2cc(OCC)c(cc2)OCC)C1=O)c1ccc(cc1)Cl)(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-0006-2900000000-f2649edc16f5e32ff2cd
Synonyms 7-(4-Chlorophenyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 7-(4-Chlorophenyl)-1-[2-(3,4-diethoxyphenyl)ethyl]-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Wiley ID 1464500