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N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pentanamide
SpectraBase Compound ID 9p3ZnFhfmkB
InChI InChI=1S/C18H16F4N4O4/c1-2-3-4-11(27)25-17(18(20,21)22)12-13(23-15(17)29)26(16(30)24-14(12)28)10-7-5-9(19)6-8-10/h5-8H,2-4H2,1H3,(H,23,29)(H,25,27)(H,24,28,30)
InChIKey FLCWJAFJHOTHDW-UHFFFAOYSA-N
Mol Weight 428.34 g/mol
Molecular Formula C18H16F4N4O4
Exact Mass 428.110768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kumm4FDlwst
Name N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]pentanamide
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Formula C18H16F4N4O4
InChI InChI=1S/C18H16F4N4O4/c1-2-3-4-11(27)25-17(18(20,21)22)12-13(23-15(17)29)26(16(30)24-14(12)28)10-7-5-9(19)6-8-10/h5-8H,2-4H2,1H3,(H,23,29)(H,25,27)(H,24,28,30)
InChIKey FLCWJAFJHOTHDW-UHFFFAOYSA-N
Molecular Weight 428.344 g/mol
SMILES N1C(C(C=2C(NC(N(C12)c1ccc(F)cc1)=O)=O)(C(F)(F)F)NC(=O)CCCC)=O
SPLASH splash10-004r-5397100000-0a1aae318d927a31e4f1
Synonyms N-[1-(4-fluorophenyl)-2,4,6-triketo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]valeramide N-[1-(4-fluorophenyl)-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pentanamide N-[1-(4-fluorophenyl)-2,4,6-tris(oxidanylidene)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pentanamide
Wiley ID 1443767