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1-[2-(3,4-diethoxyphenyl)ethyl]-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID JHVWgTju3NM
InChI InChI=1S/C21H22F6N4O4/c1-4-34-13-7-6-12(10-14(13)35-5-2)8-9-31-16-15(17(32)29-18(31)33)19(20(22,23)24,21(25,26)27)30-11(3)28-16/h6-7,10H,4-5,8-9H2,1-3H3,(H,28,30)(H,29,32,33)
InChIKey LXKVYBXYBQKNPF-UHFFFAOYSA-N
Mol Weight 508.42 g/mol
Molecular Formula C21H22F6N4O4
Exact Mass 508.154524 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C2I7RIHAN4m
Name 1-[2-(3,4-diethoxyphenyl)ethyl]-7-methyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
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Formula C21H22F6N4O4
InChI InChI=1S/C21H22F6N4O4/c1-4-34-13-7-6-12(10-14(13)35-5-2)8-9-31-16-15(17(32)29-18(31)33)19(20(22,23)24,21(25,26)27)30-11(3)28-16/h6-7,10H,4-5,8-9H2,1-3H3,(H,28,30)(H,29,32,33)
InChIKey LXKVYBXYBQKNPF-UHFFFAOYSA-N
Molecular Weight 508.421 g/mol
SMILES N1C(C=2C(N=C(NC2N(CCc2cc(OCC)c(cc2)OCC)C1=O)C)(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-0006-0900000000-db47503ac00abaaaf582
Synonyms 1-[2-(3,4-diethoxyphenyl)ethyl]-7-methyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 1-[2-(3,4-diethoxyphenyl)ethyl]-7-methyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Wiley ID 1464524