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N-(2,6-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-(2,6-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 IDRcdP32laW
InChI InChI=1S/C25H21Cl2N3O3S2/c1-33-15-11-9-14(10-12-15)30-24(32)21-16-5-2-3-8-19(16)35-23(21)29-25(30)34-13-20(31)28-22-17(26)6-4-7-18(22)27/h4,6-7,9-12H,2-3,5,8,13H2,1H3,(H,28,31)
InChIKey SRCGFQOYKMYVAT-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 16aRZuKyjOx
Name N-(2,6-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/c1-33-15-11-9-14(10-12-15)30-24(32)21-16-5-2-3-8-19(16)35-23(21)29-25(30)34-13-20(31)28-22-17(26)6-4-7-18(22)27/h4,6-7,9-12H,2-3,5,8,13H2,1H3,(H,28,31)
InChIKey SRCGFQOYKMYVAT-UHFFFAOYSA-N
Molecular Weight 546.487 g/mol
SMILES N(C1=C(Cl)C=CC=C1Cl)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C=1C=CC(=CC1)OC)=O