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(5E)-1-benzyl-5-{1-[(1-benzyl-4-piperidinyl)amino]ethylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID DudhKdzZ6Fa
InChI InChI=1S/C25H28N4O3/c1-18(26-21-12-14-28(15-13-21)16-19-8-4-2-5-9-19)22-23(30)27-25(32)29(24(22)31)17-20-10-6-3-7-11-20/h2-11,21,26H,12-17H2,1H3,(H,27,30,32)/b22-18+
InChIKey GZKHBDYXZKMDPO-RELWKKBWSA-N
Mol Weight 432.52 g/mol
Molecular Formula C25H28N4O3
Exact Mass 432.216141 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JgbwvkRv10q
Name (5E)-1-Benzyl-5-{1-[(1-benzyl-4-piperidinyl)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 432.216140775 u
Formula C25H28N4O3
InChI InChI=1S/C25H28N4O3/c1-18(26-21-12-14-28(15-13-21)16-19-8-4-2-5-9-19)22-23(30)27-25(32)29(24(22)31)17-20-10-6-3-7-11-20/h2-11,21,26H,12-17H2,1H3,(H,27,30,32)/b22-18+
InChIKey GZKHBDYXZKMDPO-RELWKKBWSA-N
Molecular Weight 432.524 g/mol
SMILES N(\C(=C\1C(N(C(NC1=O)=O)CC=1C=CC=CC1)=O)C)C1CCN(CC1)CC1=CC=CC=C1