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pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione, 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-furanyl)-5,8-dihydro-5,5-bis(trifluoromethyl)-
SpectraBase Compound ID G9jVvh5TqoI
InChI InChI=1S/C24H22F6N4O5/c1-3-37-14-8-7-13(12-16(14)38-4-2)9-10-34-19-17(20(35)32-21(34)36)22(23(25,26)27,24(28,29)30)33-18(31-19)15-6-5-11-39-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,31,33)(H,32,35,36)
InChIKey AILVHHPQPCKGTF-UHFFFAOYSA-N
Mol Weight 560.45 g/mol
Molecular Formula C24H22F6N4O5
Exact Mass 560.149439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IprKXDDk9X
Name 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-furanyl)-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 C24H22F6N4O5
InChI InChI=1S/C24H22F6N4O5/c1-3-37-14-8-7-13(12-16(14)38-4-2)9-10-34-19-17(20(35)32-21(34)36)22(23(25,26)27,24(28,29)30)33-18(31-19)15-6-5-11-39-15/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,31,33)(H,32,35,36)
InChIKey AILVHHPQPCKGTF-UHFFFAOYSA-N
Molecular Weight 560.453 g/mol
SMILES N1C(C=2C(N=C(NC2N(CCc2cc(OCC)c(cc2)OCC)C1=O)c1occc1)(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-0006-3910010000-883a7053c614935749e1
Synonyms 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-furyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-furyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(furan-2-yl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Wiley ID 1464882