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(5E)-1-(4-fluorobenzyl)-5-({[3-(4-morpholinyl)propyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID Cyke8bPcl7l
InChI InChI=1S/C19H23FN4O4/c20-15-4-2-14(3-5-15)13-24-18(26)16(17(25)22-19(24)27)12-21-6-1-7-23-8-10-28-11-9-23/h2-5,12,21H,1,6-11,13H2,(H,22,25,27)/b16-12+
InChIKey DTUULPZOSHUQNV-FOWTUZBSSA-N
Mol Weight 390.42 g/mol
Molecular Formula C19H23FN4O4
Exact Mass 390.170333 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H3a9wFOq3Pb
Name (5E)-1-(4-Fluorobenzyl)-5-({[3-(4-morpholinyl)propyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 390.170333396 u
Formula C19H23FN4O4
InChI InChI=1S/C19H23FN4O4/c20-15-4-2-14(3-5-15)13-24-18(26)16(17(25)22-19(24)27)12-21-6-1-7-23-8-10-28-11-9-23/h2-5,12,21H,1,6-11,13H2,(H,22,25,27)/b16-12+
InChIKey DTUULPZOSHUQNV-FOWTUZBSSA-N
Molecular Weight 390.415 g/mol
SMILES N(\C=C\1C(N(C(NC1=O)=O)CC1=CC=C(C=C1)F)=O)CCCN1CCOCC1