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2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide

View entire compound with spectra: 2 NMR

2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
SpectraBase Compound ID 5NuKfIA1wGG
InChI InChI=1S/C25H21BrClN3O3S2/c1-33-19-11-8-15(12-18(19)27)28-21(31)13-34-25-29-23-22(17-4-2-3-5-20(17)35-23)24(32)30(25)16-9-6-14(26)7-10-16/h6-12H,2-5,13H2,1H3,(H,28,31)
InChIKey SADZQUBJZCTHAG-UHFFFAOYSA-N
Mol Weight 590.94 g/mol
Molecular Formula C25H21BrClN3O3S2
Exact Mass 588.989625 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DRHqYfudFcM
Name 2-{[3-(4-Bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 588.989624593 u
Formula C25H21BrClN3O3S2
InChI InChI=1S/C25H21BrClN3O3S2/c1-33-19-11-8-15(12-18(19)27)28-21(31)13-34-25-29-23-22(17-4-2-3-5-20(17)35-23)24(32)30(25)16-9-6-14(26)7-10-16/h6-12H,2-5,13H2,1H3,(H,28,31)
InChIKey SADZQUBJZCTHAG-UHFFFAOYSA-N
Molecular Weight 590.938 g/mol
SMILES N(C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=C(C=C1)Br)=O)C1=CC(Cl)=C(C=C1)OC