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1-[2-(3,4-diethoxyphenyl)ethyl]-7-(4-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID 9LL2Jx5ot4M
InChI InChI=1S/C25H23F6N5O4/c1-3-39-16-6-5-14(13-17(16)40-4-2)9-12-36-20-18(21(37)34-22(36)38)23(24(26,27)28,25(29,30)31)35-19(33-20)15-7-10-32-11-8-15/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,33,35)(H,34,37,38)
InChIKey HUFMZCSRJWNXMK-UHFFFAOYSA-N
Mol Weight 571.48 g/mol
Molecular Formula C25H23F6N5O4
Exact Mass 571.165423 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CH98Gjl2r5N
Name 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(4-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H23F6N5O4
InChI InChI=1S/C25H23F6N5O4/c1-3-39-16-6-5-14(13-17(16)40-4-2)9-12-36-20-18(21(37)34-22(36)38)23(24(26,27)28,25(29,30)31)35-19(33-20)15-7-10-32-11-8-15/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,33,35)(H,34,37,38)
InChIKey HUFMZCSRJWNXMK-UHFFFAOYSA-N
Molecular Weight 571.480 g/mol
SMILES N1C(C=2C(N=C(NC2N(CCc2cc(OCC)c(cc2)OCC)C1=O)c1ccncc1)(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-0006-2900000000-017dba340e097edffe1d
Synonyms 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(4-pyridyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone 1-[2-(3,4-diethoxyphenyl)ethyl]-7-pyridin-4-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Wiley ID 1442309