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

View entire compound with spectra: 2 NMR

2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
SpectraBase Compound ID 8CEYqIj3pAd
InChI InChI=1S/C26H24ClN3O4S2/c1-33-17-11-12-19(20(13-17)34-2)28-22(31)14-35-26-29-24-23(18-5-3-4-6-21(18)36-24)25(32)30(26)16-9-7-15(27)8-10-16/h7-13H,3-6,14H2,1-2H3,(H,28,31)
InChIKey PHZGPXCGFHCJCM-UHFFFAOYSA-N
Mol Weight 542.07 g/mol
Molecular Formula C26H24ClN3O4S2
Exact Mass 541.089676 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H9xfEN15g3x
Name 2-{[3-(4-Chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 541.089676309 u
Formula C26H24ClN3O4S2
InChI InChI=1S/C26H24ClN3O4S2/c1-33-17-11-12-19(20(13-17)34-2)28-22(31)14-35-26-29-24-23(18-5-3-4-6-21(18)36-24)25(32)30(26)16-9-7-15(27)8-10-16/h7-13H,3-6,14H2,1-2H3,(H,28,31)
InChIKey PHZGPXCGFHCJCM-UHFFFAOYSA-N
Molecular Weight 542.068 g/mol
SMILES N(C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=C(C=C1)Cl)=O)C=1C(=CC(=CC1)OC)OC