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5-Pyrimidinecarboxylic acid, 4-[[(3-fluorobenzoyl)(3-pyridinylmethyl)amino]methyl]-6-(3-fluorophenyl)-1,2,3,6-tetrahydro-2-oxo-, ethyl ester
SpectraBase Compound ID 3amicqpZm2s
InChI InChI=1S/C27H24F2N4O4/c1-2-37-26(35)23-22(31-27(36)32-24(23)18-7-3-9-20(28)12-18)16-33(15-17-6-5-11-30-14-17)25(34)19-8-4-10-21(29)13-19/h3-14,24H,2,15-16H2,1H3,(H2,31,32,36)
InChIKey DHAZGJKLRWCOGA-UHFFFAOYSA-N
Mol Weight 506.51 g/mol
Molecular Formula C27H24F2N4O4
Exact Mass 506.176562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID COdMLfU2UQp
Name 5-Pyrimidinecarboxylic acid, 4-[[(3-fluorobenzoyl)(3-pyridinylmethyl)amino]methyl]-6-(3-fluorophenyl)-1,2,3,6-tetrahydro-2-oxo-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24F2N4O4
InChI InChI=1S/C27H24F2N4O4/c1-2-37-26(35)23-22(31-27(36)32-24(23)18-7-3-9-20(28)12-18)16-33(15-17-6-5-11-30-14-17)25(34)19-8-4-10-21(29)13-19/h3-14,24H,2,15-16H2,1H3,(H2,31,32,36)
InChIKey DHAZGJKLRWCOGA-UHFFFAOYSA-N
Molecular Weight 506.510 g/mol
SMILES N1C(NC(C(=C1CN(C(c1cc(F)ccc1)=O)Cc1cnccc1)C(=O)OCC)c1cc(F)ccc1)=O
SPLASH splash10-006x-9410000000-673e5a7280f3a214f581
Source of Spectrum IY-2-5036-1
Synonyms Ethyl 4-(3-fluorophenyl)-6-{[1-(3-fluorophenyl)-N-(pyridin-3-ylmethyl)formamido]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 4-(3-fluorophenyl)-6-[[[(3-fluorophenyl)-oxomethyl]-(3-pyridinylmethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Ethyl 6-[[(3-fluorobenzoyl)-(pyridin-3-ylmethyl)amino]methyl]-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 6-[[(3-fluorobenzoyl)-(3-pyridylmethyl)amino]methyl]-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Ethyl 4-(3-fluorophenyl)-6-[[(3-fluorophenyl)carbonyl-(pyridin-3-ylmethyl)amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Wiley ID 1658344