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(5E)-1-(4-methylphenyl)-5-{1-[(2-phenylethyl)amino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 56Z1BAMfWby
InChI InChI=1S/C22H23N3O3/c1-3-18(23-14-13-16-7-5-4-6-8-16)19-20(26)24-22(28)25(21(19)27)17-11-9-15(2)10-12-17/h4-12,23H,3,13-14H2,1-2H3,(H,24,26,28)/b19-18+
InChIKey PNGWIDSVGDZQCQ-VHEBQXMUSA-N
Mol Weight 377.44 g/mol
Molecular Formula C22H23N3O3
Exact Mass 377.173942 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2eV4rrdAgQI
Name (5E)-1-(4-Methylphenyl)-5-{1-[(2-phenylethyl)amino]propylidene}-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 377.173941610 u
Formula C22H23N3O3
InChI InChI=1S/C22H23N3O3/c1-3-18(23-14-13-16-7-5-4-6-8-16)19-20(26)24-22(28)25(21(19)27)17-11-9-15(2)10-12-17/h4-12,23H,3,13-14H2,1-2H3,(H,24,26,28)/b19-18+
InChIKey PNGWIDSVGDZQCQ-VHEBQXMUSA-N
Molecular Weight 377.444 g/mol
SMILES N(\C(=C\1C(N(C(NC1=O)=O)C=1C=CC(=CC1)C)=O)CC)CCC1=CC=CC=C1