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7-(4-Fluorophenyl)-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 BVfBenSrKYi
InChI InChI=1S/C25H18F7N5O2/c1-12-15(16-4-2-3-5-17(16)33-12)10-11-37-20-18(21(38)35-22(37)39)23(24(27,28)29,25(30,31)32)36-19(34-20)13-6-8-14(26)9-7-13/h2-9,33H,10-11H2,1H3,(H,34,36)(H,35,38,39)
InChIKey NIHQEBJZCKVZOH-UHFFFAOYSA-N
Mol Weight 553.44 g/mol
Molecular Formula C25H18F7N5O2
Exact Mass 553.134872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35O2YhaWbcN
Name 7-(4-Fluorophenyl)-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
Alternate Name(s) 7-(4-fluorophenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-dione 7-(4-fluorophenyl)-1-[2-(2-methyl-1H-indol-3-yl)ethyl]-5,5-bis(trifluoromethyl)-8H-pyrimido[4,5-d]pyrimidine-2,4-quinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18F7N5O2
InChI InChI=1S/C25H18F7N5O2/c1-12-15(16-4-2-3-5-17(16)33-12)10-11-37-20-18(21(38)35-22(37)39)23(24(27,28)29,25(30,31)32)36-19(34-20)13-6-8-14(26)9-7-13/h2-9,33H,10-11H2,1H3,(H,34,36)(H,35,38,39)
InChIKey NIHQEBJZCKVZOH-UHFFFAOYSA-N
Molecular Weight 553.441 g/mol
SMILES [nH]1c2c(c(CCN3C(NC(C4=C3NC(=NC4(C(F)(F)F)C(F)(F)F)c3ccc(cc3)F)=O)=O)c1C)cccc2
SPLASH splash10-0a4l-1900000000-bf87371e3900915f904c
Source of Spectrum AD-0-2532-0
Wiley ID 1435992