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N-[1-tert-butyl-2,4,6-triketo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-cyclohexyl-propionamide
SpectraBase Compound ID EnilM4EXBNr
InChI InChI=1S/C20H27F3N4O4/c1-18(2,3)27-14-13(15(29)25-17(27)31)19(16(30)24-14,20(21,22)23)26-12(28)10-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,24,30)(H,26,28)(H,25,29,31)
InChIKey DSKLPVYQCXSETG-UHFFFAOYSA-N
Mol Weight 444.46 g/mol
Molecular Formula C20H27F3N4O4
Exact Mass 444.19844 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2VYvLIEtBQu
Name N-[1-tert-butyl-2,4,6-triketo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-cyclohexyl-propionamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27F3N4O4
InChI InChI=1S/C20H27F3N4O4/c1-18(2,3)27-14-13(15(29)25-17(27)31)19(16(30)24-14,20(21,22)23)26-12(28)10-9-11-7-5-4-6-8-11/h11H,4-10H2,1-3H3,(H,24,30)(H,26,28)(H,25,29,31)
InChIKey DSKLPVYQCXSETG-UHFFFAOYSA-N
Molecular Weight 444.455 g/mol
SMILES N1C(C=2C(C(NC2N(C1=O)C(C)(C)C)=O)(NC(=O)CCC1CCCCC1)C(F)(F)F)=O
SPLASH splash10-052g-9353000000-f98e9bc746512c8243f8
Synonyms N-[1-tert-butyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-cyclohexylpropanamide N-[1-tert-butyl-2,4,6-trioxo-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-cyclohexyl-propanamide N-[1-tert-butyl-2,4,6-tris(oxidanylidene)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-3-cyclohexyl-propanamide
Wiley ID 1444520