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7-(2-Chloro-phenyl)-1,3-dimethyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID 4dZ0yFFURgw
InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-5-3-4-6-8(7)17/h3-6H,1-2H3,(H,24,25)
InChIKey AQNZSQBYNNZMKQ-UHFFFAOYSA-N
Mol Weight 440.73 g/mol
Molecular Formula C16H11ClF6N4O2
Exact Mass 440.047472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hq9a8NaQ8Qv
Name 7-(2-Chloro-phenyl)-1,3-dimethyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
Alternate Name(s) 7-(2-Chlorophenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione 7-(2-Chlorophenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 7-(2-Chlorophenyl)-1,3-dimethyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
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Formula C16H11ClF6N4O2
InChI InChI=1S/C16H11ClF6N4O2/c1-26-11-9(12(28)27(2)13(26)29)14(15(18,19)20,16(21,22)23)25-10(24-11)7-5-3-4-6-8(7)17/h3-6H,1-2H3,(H,24,25)
InChIKey AQNZSQBYNNZMKQ-UHFFFAOYSA-N
Molecular Weight 440.733 g/mol
SMILES N1C2=C(C(N=C1c1c(Cl)cccc1)(C(F)(F)F)C(F)(F)F)C(N(C(N2C)=O)C)=O
SPLASH splash10-00e9-6905000000-a71fa8e978a0d6e4c6f8
Wiley ID 1461938