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5-{1-[(1-benzyl-4-piperidinyl)amino]ethylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 2qQIv3xnYKK
InChI InChI=1S/C18H22N4O3/c1-12(15-16(23)20-18(25)21-17(15)24)19-14-7-9-22(10-8-14)11-13-5-3-2-4-6-13/h2-6,14,19H,7-11H2,1H3,(H2,20,21,23,24,25)
InChIKey XTPHGJHATQVCKT-UHFFFAOYSA-N
Mol Weight 342.4 g/mol
Molecular Formula C18H22N4O3
Exact Mass 342.169191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID cm8czC6VLe
Name 5-{1-[(1-Benzyl-4-piperidinyl)amino]ethylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
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Exact Mass 342.169190581 u
Formula C18H22N4O3
InChI InChI=1S/C18H22N4O3/c1-12(15-16(23)20-18(25)21-17(15)24)19-14-7-9-22(10-8-14)11-13-5-3-2-4-6-13/h2-6,14,19H,7-11H2,1H3,(H2,20,21,23,24,25)
InChIKey XTPHGJHATQVCKT-UHFFFAOYSA-N
Molecular Weight 342.399 g/mol
SMILES N(C(=C1C(NC(NC1=O)=O)=O)C)C1CCN(CC1)CC1=CC=CC=C1