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4-pyridinecarboxamide, N-[5-[2-[(4-ethoxyphenyl)amino]-2-oxoethyl]-3-ethyl-4-oxo-2-thioxo-1-imidazolidinyl]-
SpectraBase Compound ID 8uHcsqETBRN
InChI InChI=1S/C21H23N5O4S/c1-3-25-20(29)17(13-18(27)23-15-5-7-16(8-6-15)30-4-2)26(21(25)31)24-19(28)14-9-11-22-12-10-14/h5-12,17H,3-4,13H2,1-2H3,(H,23,27)(H,24,28)
InChIKey KUYMNIDHISUDHU-UHFFFAOYSA-N
Mol Weight 441.51 g/mol
Molecular Formula C21H23N5O4S
Exact Mass 441.147075 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID XmFfLZ71oZ
Name 4-Pyridinecarboxamide, N-[5-[2-[(4-ethoxyphenyl)amino]-2-oxoethyl]-3-ethyl-4-oxo-2-thioxo-1-imidazolidinyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.147075411 u
Formula C21H23N5O4S
InChI InChI=1S/C21H23N5O4S/c1-3-25-20(29)17(13-18(27)23-15-5-7-16(8-6-15)30-4-2)26(21(25)31)24-19(28)14-9-11-22-12-10-14/h5-12,17H,3-4,13H2,1-2H3,(H,23,27)(H,24,28)
InChIKey KUYMNIDHISUDHU-UHFFFAOYSA-N
Molecular Weight 441.506 g/mol
SMILES N(C(CC1C(N(C(N1NC(=O)C=1C=CN=CC1)=S)CC)=O)=O)C=1C=CC(=CC1)OCC