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8-(2-Fluorophenyl)-7-thioxo-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,5(1H,3H)-dione
SpectraBase Compound ID 72NGaro4cVA
InChI InChI=1S/C14H7F7N4O2S/c15-5-3-1-2-4-6(5)25-8-7(9(26)23-11(25)28)12(13(16,17)18,14(19,20)21)24-10(27)22-8/h1-4H,(H2,22,24,27)(H,23,26,28)
InChIKey XWESLDKOXBROHK-UHFFFAOYSA-N
Mol Weight 428.28 g/mol
Molecular Formula C14H7F7N4O2S
Exact Mass 428.017794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGKouyBHmi0
Name 8-(2-Fluorophenyl)-7-thioxo-4,4-bis(trifluoromethyl)-4,6,7,8-tetrahydropyrimido[4,5-d]pyrimidine-2,5(1H,3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H7F7N4O2S
InChI InChI=1S/C14H7F7N4O2S/c15-5-3-1-2-4-6(5)25-8-7(9(26)23-11(25)28)12(13(16,17)18,14(19,20)21)24-10(27)22-8/h1-4H,(H2,22,24,27)(H,23,26,28)
InChIKey XWESLDKOXBROHK-UHFFFAOYSA-N
Molecular Weight 428.285 g/mol
SMILES N1C(N(C2=C(C(NC(N2)=O)(C(F)(F)F)C(F)(F)F)C1=O)c1c(cccc1)F)=S
SPLASH splash10-0bu0-6789300000-87b9f2016cce5eeef5d6
Synonyms 1-(2-fluorophenyl)-2-sulfanylidene-5,5-bis(trifluoromethyl)-6,8-dihydropyrimido[4,5-d]pyrimidine-4,7-dione 1-(2-fluorophenyl)-2-thioxo-5,5-bis(trifluoromethyl)-6,8-dihydropyrimido[4,5-d]pyrimidine-4,7-dione 1-(2-fluorophenyl)-2-thioxo-5,5-bis(trifluoromethyl)-6,8-dihydropyrimido[4,5-d]pyrimidine-4,7-quinone
Wiley ID 1512556