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(5E)-1-cyclohexyl-5-(1-{[2-(dimethylamino)ethyl]amino}ethylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID CtBYF9dbrQO
InChI InChI=1S/C16H26N4O3/c1-11(17-9-10-19(2)3)13-14(21)18-16(23)20(15(13)22)12-7-5-4-6-8-12/h12,17H,4-10H2,1-3H3,(H,18,21,23)/b13-11+
InChIKey DIJOQGNBUSNFLD-ACCUITESSA-N
Mol Weight 322.41 g/mol
Molecular Formula C16H26N4O3
Exact Mass 322.200491 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BCTJsWPHgth
Name (5E)-1-Cyclohexyl-5-(1-{[2-(dimethylamino)ethyl]amino}ethylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
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Exact Mass 322.200490710 u
Formula C16H26N4O3
InChI InChI=1S/C16H26N4O3/c1-11(17-9-10-19(2)3)13-14(21)18-16(23)20(15(13)22)12-7-5-4-6-8-12/h12,17H,4-10H2,1-3H3,(H,18,21,23)/b13-11+
InChIKey DIJOQGNBUSNFLD-ACCUITESSA-N
Molecular Weight 322.409 g/mol
SMILES N(\C(=C\1C(N(C(NC1=O)=O)C1CCCCC1)=O)C)CCN(C)C