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(5E)-1-(4-chlorophenyl)-5-{1-[(3-pyridinylmethyl)amino]ethylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID AokfqC7fhZ4
InChI InChI=1S/C18H15ClN4O3/c1-11(21-10-12-3-2-8-20-9-12)15-16(24)22-18(26)23(17(15)25)14-6-4-13(19)5-7-14/h2-9,21H,10H2,1H3,(H,22,24,26)/b15-11+
InChIKey JVYZKBJXEHILRX-RVDMUPIBSA-N
Mol Weight 370.8 g/mol
Molecular Formula C18H15ClN4O3
Exact Mass 370.083268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CENwsVrZnJ3
Name (5E)-1-(4-Chlorophenyl)-5-{1-[(3-pyridinylmethyl)amino]ethylidene}-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 370.083268056 u
Formula C18H15ClN4O3
InChI InChI=1S/C18H15ClN4O3/c1-11(21-10-12-3-2-8-20-9-12)15-16(24)22-18(26)23(17(15)25)14-6-4-13(19)5-7-14/h2-9,21H,10H2,1H3,(H,22,24,26)/b15-11+
InChIKey JVYZKBJXEHILRX-RVDMUPIBSA-N
Molecular Weight 370.796 g/mol
SMILES N(\C(=C\1C(N(C(NC1=O)=O)C1=CC=C(C=C1)Cl)=O)C)CC=1C=NC=CC1