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1-[2-(2-methyl-1H-indol-3-yl)ethyl]-7-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
SpectraBase Compound ID 1KolaMXrg3s
InChI InChI=1S/C25H19F6N5O2/c1-13-15(16-9-5-6-10-17(16)32-13)11-12-36-20-18(21(37)34-22(36)38)23(24(26,27)28,25(29,30)31)35-19(33-20)14-7-3-2-4-8-14/h2-10,32H,11-12H2,1H3,(H,33,35)(H,34,37,38)
InChIKey GAHGDYPMDKGQFY-UHFFFAOYSA-N
Mol Weight 535.45 g/mol
Molecular Formula C25H19F6N5O2
Exact Mass 535.144294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ScTmOauh4Z
Name 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-7-phenyl-5,5-bis(trifluoromethyl)-5,8-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
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Formula C25H19F6N5O2
InChI InChI=1S/C25H19F6N5O2/c1-13-15(16-9-5-6-10-17(16)32-13)11-12-36-20-18(21(37)34-22(36)38)23(24(26,27)28,25(29,30)31)35-19(33-20)14-7-3-2-4-8-14/h2-10,32H,11-12H2,1H3,(H,33,35)(H,34,37,38)
InChIKey GAHGDYPMDKGQFY-UHFFFAOYSA-N
Molecular Weight 535.450 g/mol
SMILES [nH]1c2c(c(CCN3C(NC(C4=C3NC(=NC4(C(F)(F)F)C(F)(F)F)c3ccccc3)=O)=O)c1C)cccc2
SPLASH splash10-0a4l-0900000000-fe2b90c0200bf9ca15d1
Source of Spectrum AD-0-2532-0
Synonyms 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-7-phenyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 1-[2-(2-methyl-1H-indol-3-yl)ethyl]-7-phenyl-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Wiley ID 1435990