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

View entire compound with spectra: 2 NMR

N-(3,5-dichlorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID DMPGnTtRkFZ
InChI InChI=1S/C25H21Cl2N3O3S2/c1-33-18-8-6-17(7-9-18)30-24(32)22-19-4-2-3-5-20(19)35-23(22)29-25(30)34-13-21(31)28-16-11-14(26)10-15(27)12-16/h6-12H,2-5,13H2,1H3,(H,28,31)
InChIKey OGWMVZKBTQILNK-UHFFFAOYSA-N
Mol Weight 546.49 g/mol
Molecular Formula C25H21Cl2N3O3S2
Exact Mass 545.040139 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EPNTlphLmw0
Name N-(3,5-Dichlorophenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 545.040139293 u
Formula C25H21Cl2N3O3S2
InChI InChI=1S/C25H21Cl2N3O3S2/c1-33-18-8-6-17(7-9-18)30-24(32)22-19-4-2-3-5-20(19)35-23(22)29-25(30)34-13-21(31)28-16-11-14(26)10-15(27)12-16/h6-12H,2-5,13H2,1H3,(H,28,31)
InChIKey OGWMVZKBTQILNK-UHFFFAOYSA-N
Molecular Weight 546.487 g/mol
SMILES N(C1=CC(Cl)=CC(=C1)Cl)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=C(C=C1)OC)=O