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7-Methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID BBYn8h0D8uo
InChI InChI=1S/C20H17F6N5O2/c1-9-11(12-5-3-4-6-13(12)27-9)7-8-31-15-14(16(32)29-17(31)33)18(19(21,22)23,20(24,25)26)30-10(2)28-15/h3-6,27H,7-8H2,1-2H3,(H,28,30)(H,29,32,33)
InChIKey CVEJYJOVFFGZAQ-UHFFFAOYSA-N
Mol Weight 473.38 g/mol
Molecular Formula C20H17F6N5O2
Exact Mass 473.128644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3zWq2tCk8Yy
Name 7-Methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
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Formula C20H17F6N5O2
InChI InChI=1S/C20H17F6N5O2/c1-9-11(12-5-3-4-6-13(12)27-9)7-8-31-15-14(16(32)29-17(31)33)18(19(21,22)23,20(24,25)26)30-10(2)28-15/h3-6,27H,7-8H2,1-2H3,(H,28,30)(H,29,32,33)
InChIKey CVEJYJOVFFGZAQ-UHFFFAOYSA-N
Molecular Weight 473.379 g/mol
SMILES [nH]1c2c(c(CCN3C(NC(C4=C3NC(=NC4(C(F)(F)F)C(F)(F)F)C)=O)=O)c1C)cccc2
SPLASH splash10-052f-1900000000-813c9dacb432acbc2f69
Synonyms 7-Methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 7-Methyl-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Wiley ID 1442306