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1,3-dimethyl-5-{1-[4-(4-pyridinylmethyl)anilino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 8JfZFoaNmfM
InChI InChI=1S/C21H22N4O3/c1-4-17(18-19(26)24(2)21(28)25(3)20(18)27)23-16-7-5-14(6-8-16)13-15-9-11-22-12-10-15/h5-12,23H,4,13H2,1-3H3
InChIKey PSOUUQQFIZYIAX-UHFFFAOYSA-N
Mol Weight 378.43 g/mol
Molecular Formula C21H22N4O3
Exact Mass 378.169191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQmeAztUYHM
Name 1,3-Dimethyl-5-{1-[4-(4-pyridinylmethyl)anilino]propylidene}-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
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Exact Mass 378.169190581 u
Formula C21H22N4O3
InChI InChI=1S/C21H22N4O3/c1-4-17(18-19(26)24(2)21(28)25(3)20(18)27)23-16-7-5-14(6-8-16)13-15-9-11-22-12-10-15/h5-12,23H,4,13H2,1-3H3
InChIKey PSOUUQQFIZYIAX-UHFFFAOYSA-N
Molecular Weight 378.432 g/mol
SMILES N(C(=C1C(N(C)C(N(C1=O)C)=O)=O)CC)C=1C=CC(=CC1)CC=1C=CN=CC1