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(5E)-1-benzyl-5-({[2-(4-methoxyphenyl)ethyl]amino}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 7ml2LsnIrZE
InChI InChI=1S/C21H21N3O4/c1-28-17-9-7-15(8-10-17)11-12-22-13-18-19(25)23-21(27)24(20(18)26)14-16-5-3-2-4-6-16/h2-10,13,22H,11-12,14H2,1H3,(H,23,25,27)/b18-13+
InChIKey IUZTUKWRBCOIDO-QGOAFFKASA-N
Mol Weight 379.42 g/mol
Molecular Formula C21H21N3O4
Exact Mass 379.153206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5G1VbEb8aD9
Name (5E)-1-Benzyl-5-({[2-(4-methoxyphenyl)ethyl]amino}methylene)-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 379.153206164 u
Formula C21H21N3O4
InChI InChI=1S/C21H21N3O4/c1-28-17-9-7-15(8-10-17)11-12-22-13-18-19(25)23-21(27)24(20(18)26)14-16-5-3-2-4-6-16/h2-10,13,22H,11-12,14H2,1H3,(H,23,25,27)/b18-13+
InChIKey IUZTUKWRBCOIDO-QGOAFFKASA-N
Molecular Weight 379.416 g/mol
SMILES N1C(\C(=C/NCCC2=CC=C(C=C2)OC)C(N(C1=O)CC1=CC=CC=C1)=O)=O