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1-[2-(3,4-diethoxyphenyl)ethyl]-7-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1-[2-(3,4-diethoxyphenyl)ethyl]-7-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID KCLPSnyfwgC
InChI InChI=1S/C27H26F6N4O5/c1-4-41-18-11-6-15(14-19(18)42-5-2)12-13-37-22-20(23(38)35-24(37)39)25(26(28,29)30,27(31,32)33)36-21(34-22)16-7-9-17(40-3)10-8-16/h6-11,14H,4-5,12-13H2,1-3H3,(H,34,36)(H,35,38,39)
InChIKey XVEXUYAQBIZXBS-UHFFFAOYSA-N
Mol Weight 600.52 g/mol
Molecular Formula C27H26F6N4O5
Exact Mass 600.180739 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lZ0uK66U8s
Name 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26F6N4O5
InChI InChI=1S/C27H26F6N4O5/c1-4-41-18-11-6-15(14-19(18)42-5-2)12-13-37-22-20(23(38)35-24(37)39)25(26(28,29)30,27(31,32)33)36-21(34-22)16-7-9-17(40-3)10-8-16/h6-11,14H,4-5,12-13H2,1-3H3,(H,34,36)(H,35,38,39)
InChIKey XVEXUYAQBIZXBS-UHFFFAOYSA-N
Molecular Weight 600.518 g/mol
SMILES N1C(C=2C(N=C(NC2N(CCc2cc(OCC)c(cc2)OCC)C1=O)c1ccc(cc1)OC)(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-0006-0900000000-c175f95ff68a304752ba
Synonyms 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(4-methoxyphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Wiley ID 1464527