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2-Chloro-N-[2-ethyl-4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-D]pyrimidin-3(4H)-yl]acetamide

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2-Chloro-N-[2-ethyl-4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-D]pyrimidin-3(4H)-yl]acetamide
SpectraBase Compound ID 5N1b9QytoyB
InChI InChI=1S/C14H16ClN3O2S/c1-2-10-16-13-12(8-5-3-4-6-9(8)21-13)14(20)18(10)17-11(19)7-15/h2-7H2,1H3,(H,17,19)
InChIKey CUVDDEYCMGFIJT-UHFFFAOYSA-N
Mol Weight 325.81 g/mol
Molecular Formula C14H16ClN3O2S
Exact Mass 325.065176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FDxPBQMZZJ9
Name 2-Chloro-N-[2-ethyl-4-oxo-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-D]pyrimidin-3(4H)-yl]acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.065175639 u
Formula C14H16ClN3O2S
InChI InChI=1S/C14H16ClN3O2S/c1-2-10-16-13-12(8-5-3-4-6-9(8)21-13)14(20)18(10)17-11(19)7-15/h2-7H2,1H3,(H,17,19)
InChIKey CUVDDEYCMGFIJT-UHFFFAOYSA-N
Molecular Weight 325.814 g/mol
SMILES C(CCl)(=O)NN1C(=NC2=C(C1=O)C=1CCCCC1S2)CC