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1-(4-Methoxyphenyl)-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID 7YK4BSgbuxR
InChI InChI=1S/C19H12F6N4O3S/c1-32-10-6-4-9(5-7-10)29-14-12(15(30)27-16(29)31)17(18(20,21)22,19(23,24)25)28-13(26-14)11-3-2-8-33-11/h2-8H,1H3,(H,26,28)(H,27,30,31)
InChIKey CXFYFVASHPDLBD-UHFFFAOYSA-N
Mol Weight 490.38 g/mol
Molecular Formula C19H12F6N4O3S
Exact Mass 490.05343 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2j206sT0abG
Name 1-(4-Methoxyphenyl)-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 C19H12F6N4O3S
InChI InChI=1S/C19H12F6N4O3S/c1-32-10-6-4-9(5-7-10)29-14-12(15(30)27-16(29)31)17(18(20,21)22,19(23,24)25)28-13(26-14)11-3-2-8-33-11/h2-8H,1H3,(H,26,28)(H,27,30,31)
InChIKey CXFYFVASHPDLBD-UHFFFAOYSA-N
Molecular Weight 490.380 g/mol
SMILES N1C(N(C2=C(C1=O)C(N=C(N2)c1sccc1)(C(F)(F)F)C(F)(F)F)c1ccc(cc1)OC)=O
SPLASH splash10-00di-2221900000-d68cf4d09cce0d68b867
Synonyms 1-(4-Methoxyphenyl)-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone 1-(4-Methoxyphenyl)-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Wiley ID 1443031