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(5E)-1-allyl-5-{1-[(1-benzyl-4-piperidinyl)amino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 1uB8Ws1L0V9
InChI InChI=1S/C22H28N4O3/c1-3-12-26-21(28)19(20(27)24-22(26)29)18(4-2)23-17-10-13-25(14-11-17)15-16-8-6-5-7-9-16/h3,5-9,17,23H,1,4,10-15H2,2H3,(H,24,27,29)/b19-18+
InChIKey UBSXBSPTCPSYBH-VHEBQXMUSA-N
Mol Weight 396.49 g/mol
Molecular Formula C22H28N4O3
Exact Mass 396.216141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 11odlAA8cTX
Name (5E)-1-Allyl-5-{1-[(1-benzyl-4-piperidinyl)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 396.216140775 u
Formula C22H28N4O3
InChI InChI=1S/C22H28N4O3/c1-3-12-26-21(28)19(20(27)24-22(26)29)18(4-2)23-17-10-13-25(14-11-17)15-16-8-6-5-7-9-16/h3,5-9,17,23H,1,4,10-15H2,2H3,(H,24,27,29)/b19-18+
InChIKey UBSXBSPTCPSYBH-VHEBQXMUSA-N
Molecular Weight 396.491 g/mol
SMILES N(\C(=C\1C(N(CC=C)C(NC1=O)=O)=O)CC)C1CCN(CC1)CC1=CC=CC=C1