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(5E)-1-allyl-5-(1-{[2-(dimethylamino)ethyl]amino}ethylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID 5i7k5XhF3dl
InChI InChI=1S/C13H20N4O3/c1-5-7-17-12(19)10(11(18)15-13(17)20)9(2)14-6-8-16(3)4/h5,14H,1,6-8H2,2-4H3,(H,15,18,20)/b10-9+
InChIKey ISCVFIFRWZLNSL-MDZDMXLPSA-N
Mol Weight 280.33 g/mol
Molecular Formula C13H20N4O3
Exact Mass 280.153541 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1zo8NXRfoCa
Name (5E)-1-Allyl-5-(1-{[2-(dimethylamino)ethyl]amino}ethylidene)-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 280.153540517 u
Formula C13H20N4O3
InChI InChI=1S/C13H20N4O3/c1-5-7-17-12(19)10(11(18)15-13(17)20)9(2)14-6-8-16(3)4/h5,14H,1,6-8H2,2-4H3,(H,15,18,20)/b10-9+
InChIKey ISCVFIFRWZLNSL-MDZDMXLPSA-N
Molecular Weight 280.328 g/mol
SMILES N(\C(=C\1C(N(C(NC1=O)=O)CC=C)=O)C)CCN(C)C