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1-Phenyl-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-Phenyl-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID CNO2Fs2Pvlr
InChI InChI=1S/C18H10F6N4O2S/c19-17(20,21)16(18(22,23)24)11-13(25-12(27-16)10-7-4-8-31-10)28(15(30)26-14(11)29)9-5-2-1-3-6-9/h1-8H,(H,25,27)(H,26,29,30)
InChIKey REGWGIFRNOKPGW-UHFFFAOYSA-N
Mol Weight 460.35 g/mol
Molecular Formula C18H10F6N4O2S
Exact Mass 460.042866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HiBTyTqjWzK
Name 1-Phenyl-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Alternate Name(s) 1-Phenyl-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone 1-Phenyl-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
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Formula C18H10F6N4O2S
InChI InChI=1S/C18H10F6N4O2S/c19-17(20,21)16(18(22,23)24)11-13(25-12(27-16)10-7-4-8-31-10)28(15(30)26-14(11)29)9-5-2-1-3-6-9/h1-8H,(H,25,27)(H,26,29,30)
InChIKey REGWGIFRNOKPGW-UHFFFAOYSA-N
Molecular Weight 460.354 g/mol
SMILES N1C(N(C2=C(C1=O)C(N=C(N2)c1sccc1)(C(F)(F)F)C(F)(F)F)c1ccccc1)=O
SPLASH splash10-0006-4529000000-9fc08585a36ef517356e
Wiley ID 1443029