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N-(2,5-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-(2,5-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 1d7SgInxpUG
InChI InChI=1S/C25H21Cl2N3O3S2/c1-33-16-9-7-15(8-10-16)30-24(32)22-17-4-2-3-5-20(17)35-23(22)29-25(30)34-13-21(31)28-19-12-14(26)6-11-18(19)27/h6-12H,2-5,13H2,1H3,(H,28,31)
InChIKey JBGXTCZMGSKAOF-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 1CqUTZGZ7g8
Name N-(2,5-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/c1-33-16-9-7-15(8-10-16)30-24(32)22-17-4-2-3-5-20(17)35-23(22)29-25(30)34-13-21(31)28-19-12-14(26)6-11-18(19)27/h6-12H,2-5,13H2,1H3,(H,28,31)
InChIKey JBGXTCZMGSKAOF-UHFFFAOYSA-N
Molecular Weight 546.487 g/mol
SMILES N(C=1C=C(Cl)C=CC1Cl)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C=1C=CC(=CC1)OC)=O