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

View entire compound with spectra: 1 MS (GC)

1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID ABUFkw3CUHl
InChI InChI=1S/C24H22F6N4O4S/c1-3-37-14-8-7-13(12-15(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)16-6-5-11-39-16/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,31,33)(H,32,35,36)
InChIKey DCXWNPKJZITEKN-UHFFFAOYSA-N
Mol Weight 576.51 g/mol
Molecular Formula C24H22F6N4O4S
Exact Mass 576.126595 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8EAcDi9GHeY
Name 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-thienyl)-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 C24H22F6N4O4S
InChI InChI=1S/C24H22F6N4O4S/c1-3-37-14-8-7-13(12-15(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)16-6-5-11-39-16/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,31,33)(H,32,35,36)
InChIKey DCXWNPKJZITEKN-UHFFFAOYSA-N
Molecular Weight 576.514 g/mol
SMILES N1C(C=2C(N=C(NC2N(CCc2cc(OCC)c(cc2)OCC)C1=O)c1sccc1)(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-0006-1900010000-f06a14d813340786c825
Synonyms 1-[2-(3,4-diethoxyphenyl)ethyl]-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone 1-[2-(3,4-diethoxyphenyl)ethyl]-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Wiley ID 1442760