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1-benzyl-7-(2-thienyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID LRX4sxejARE
InChI InChI=1S/C19H12F6N4O2S/c20-18(21,22)17(19(23,24)25)12-14(26-13(28-17)11-7-4-8-32-11)29(16(31)27-15(12)30)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,26,28)(H,27,30,31)
InChIKey HOCOKOKYRFWIAT-UHFFFAOYSA-N
Mol Weight 474.38 g/mol
Molecular Formula C19H12F6N4O2S
Exact Mass 474.058516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D6GhXRbCq2x
Name 1-(Phenylmethyl)-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
Alternate Name(s) 1-Benzyl-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 1-Benzyl-7-(2-thienyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone 1-Benzyl-7-thiophen-2-yl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione
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Formula C19H12F6N4O2S
InChI InChI=1S/C19H12F6N4O2S/c20-18(21,22)17(19(23,24)25)12-14(26-13(28-17)11-7-4-8-32-11)29(16(31)27-15(12)30)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,26,28)(H,27,30,31)
InChIKey HOCOKOKYRFWIAT-UHFFFAOYSA-N
Molecular Weight 474.381 g/mol
SMILES N1C(C=2C(N=C(NC2N(Cc2ccccc2)C1=O)c1sccc1)(C(F)(F)F)C(F)(F)F)=O
SPLASH splash10-0006-9200100000-9a6d0a5de78347f36004
Wiley ID 1442466