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(5E)-5-{1-[(3,3-diphenylpropyl)amino]propylidene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 339mfJAuACI
InChI InChI=1S/C29H29N3O3/c1-3-25(26-27(33)31-29(35)32(28(26)34)23-16-14-20(2)15-17-23)30-19-18-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,24,30H,3,18-19H2,1-2H3,(H,31,33,35)/b26-25+
InChIKey NBSIFAFFMWLLEO-OCEACIFDSA-N
Mol Weight 467.57 g/mol
Molecular Formula C29H29N3O3
Exact Mass 467.220892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3yS7ZT3V34P
Name (5E)-5-{1-[(3,3-Diphenylpropyl)amino]propylidene}-1-(4-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Comments Computed using HOSE algorithm
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Exact Mass 467.220891803 u
Formula C29H29N3O3
InChI InChI=1S/C29H29N3O3/c1-3-25(26-27(33)31-29(35)32(28(26)34)23-16-14-20(2)15-17-23)30-19-18-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-17,24,30H,3,18-19H2,1-2H3,(H,31,33,35)/b26-25+
InChIKey NBSIFAFFMWLLEO-OCEACIFDSA-N
Molecular Weight 467.569 g/mol
SMILES N(\C(=C\1C(N(C(NC1=O)=O)C1=CC=C(C=C1)C)=O)CC)CCC(C1=CC=CC=C1)C=1C=CC=CC1