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(5E)-5-{1-[4-(dimethylamino)anilino]ethylidene}-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 2hApHhhru3J
InChI InChI=1S/C21H22N4O4/c1-13(22-14-5-7-15(8-6-14)24(2)3)18-19(26)23-21(28)25(20(18)27)16-9-11-17(29-4)12-10-16/h5-12,22H,1-4H3,(H,23,26,28)/b18-13+
InChIKey MNKVMWZPUVYWRJ-QGOAFFKASA-N
Mol Weight 394.43 g/mol
Molecular Formula C21H22N4O4
Exact Mass 394.164105 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7yVGAX9Vk2K
Name (5E)-5-{1-[4-(Dimethylamino)anilino]ethylidene}-1-(4-methoxyphenyl)-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 394.164105200 u
Formula C21H22N4O4
InChI InChI=1S/C21H22N4O4/c1-13(22-14-5-7-15(8-6-14)24(2)3)18-19(26)23-21(28)25(20(18)27)16-9-11-17(29-4)12-10-16/h5-12,22H,1-4H3,(H,23,26,28)/b18-13+
InChIKey MNKVMWZPUVYWRJ-QGOAFFKASA-N
Molecular Weight 394.431 g/mol
SMILES N(\C(=C\1C(N(C(NC1=O)=O)C=1C=CC(=CC1)OC)=O)C)C=1C=CC(=CC1)N(C)C