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1,3-Dimethyl-7-O-tolyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
SpectraBase Compound ID 1Qzvc4Qm0UH
InChI InChI=1S/C17H14F6N4O2/c1-8-6-4-5-7-9(8)11-24-12-10(13(28)27(3)14(29)26(12)2)15(25-11,16(18,19)20)17(21,22)23/h4-7H,1-3H3,(H,24,25)
InChIKey VCFOQHDGGXWZDQ-UHFFFAOYSA-N
Mol Weight 420.32 g/mol
Molecular Formula C17H14F6N4O2
Exact Mass 420.102095 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jDIx8UE7PF
Name 1,3-Dimethyl-7-O-tolyl-5,5-bis-trifluoromethyl-5,8-dihydro-1H-pyrimido[4,5-d]pyrimidine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14F6N4O2
InChI InChI=1S/C17H14F6N4O2/c1-8-6-4-5-7-9(8)11-24-12-10(13(28)27(3)14(29)26(12)2)15(25-11,16(18,19)20)17(21,22)23/h4-7H,1-3H3,(H,24,25)
InChIKey VCFOQHDGGXWZDQ-UHFFFAOYSA-N
Molecular Weight 420.315 g/mol
SMILES N1C2=C(C(N=C1c1c(C)cccc1)(C(F)(F)F)C(F)(F)F)C(N(C(N2C)=O)C)=O
SPLASH splash10-0udi-1429000000-c7c93f5138fff4d04979
Synonyms 1,3-Dimethyl-7-(2-methylphenyl)-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione 1,3-Dimethyl-7-(2-methylphenyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 1,3-Dimethyl-7-(o-tolyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 1,3-Dimethyl-7-(o-tolyl)-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Wiley ID 1462468