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CHEBI:41385 - 2-[(2,2-difluoro-2-pyridinium-2-ylethyl)amino]-4-(2-{[(3-fluoro-4-methylpyridin-2-yl)methyl]amino}-2-oxoethyl)-5-methyl-3-oxo-3,4-dihydropyrazin-1-ium

ChEBI IDCHEBI:41385
ChEBI Name2-[(2,2-difluoro-2-pyridinium-2-ylethyl)amino]-4-(2-{[(3-fluoro-4-methylpyridin-2-yl)methyl]amino}-2-oxoethyl)-5-methyl-3-oxo-3,4-dihydropyrazin-1-ium
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Last Modified16 May 2008
DownloadsMolfile
FormulaC21H23F3N6O2
Net Charge+2
Average Mass448.449
Monoisotopic Mass448.18236
SMILES[H]c1nc(C([H])([H])N([H])C(=O)C([H])([H])n2c(C([H])([H])[H])c([H])[n+]([H])c(N([H])C([H])([H])C(F)(F)c3c([H])c([H])c([H])c([H])[n+]3[H])c2=O)c(F)c(C([H])([H])[H])c1[H]
InChIInChI=1S/C21H21F3N6O2/c1-13-6-8-25-15(18(13)22)10-27-17(31)11-30-14(2)9-28-19(20(30)32)29-12-21(23,24)16-5-3-4-7-26-16/h3-9H,10-12H2,1-2H3,(H,27,31)(H,28,29)/p+2
InChIKeyWOYBPRBUPLYTPY-UHFFFAOYSA-P
ChEBI Ontology
Outgoing Relation(s)
2-[(2,2-difluoro-2-pyridinium-2-ylethyl)amino]-4-(2-{[(3-fluoro-4-methylpyridin-2-yl)methyl]amino}-2-oxoethyl)-5-methyl-3-oxo-3,4-dihydropyrazin-1-ium (CHEBI:41385) is a monocarboxylic acid amide (CHEBI:29347)
2-[(2,2-difluoro-2-pyridinium-2-ylethyl)amino]-4-(2-{[(3-fluoro-4-methylpyridin-2-yl)methyl]amino}-2-oxoethyl)-5-methyl-3-oxo-3,4-dihydropyrazin-1-ium (CHEBI:41385) is a organofluorine compound (CHEBI:37143)
2-[(2,2-difluoro-2-pyridinium-2-ylethyl)amino]-4-(2-{[(3-fluoro-4-methylpyridin-2-yl)methyl]amino}-2-oxoethyl)-5-methyl-3-oxo-3,4-dihydropyrazin-1-ium (CHEBI:41385) is a pyrazines (CHEBI:38314)
2-[(2,2-difluoro-2-pyridinium-2-ylethyl)amino]-4-(2-{[(3-fluoro-4-methylpyridin-2-yl)methyl]amino}-2-oxoethyl)-5-methyl-3-oxo-3,4-dihydropyrazin-1-ium (CHEBI:41385) is a pyridinium salt (CHEBI:38188)
Synonym  Source
2-[(2,2-difluoro-2-pyridinium-2-ylethyl)amino]-4-(2-{[(3-fluoro-4-methylpyridin-2-yl)methyl]amino}-2-oxoethyl)-5-methyl-3-oxo-3,4-dihydropyrazin-1-iumPDBeChem
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