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

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N-(3-chloro-4-methoxyphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID 1RtqYeif7mT
InChI InChI=1S/C25H21Cl2N3O3S2/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 WLYPDQLXKSGYAA-UHFFFAOYSA-N
Mol Weight 546.49 g/mol
Molecular Formula C25H21Cl2N3O3S2
Exact Mass 545.040139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1EdEoYBrh9g
Name N-(3-chloro-4-methoxyphenyl)-2-{[3-(4-chlorophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H21Cl2N3O3S2/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 WLYPDQLXKSGYAA-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17138
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D25560; Labnumber: GRES-04640; SBI_ID: SBI-017141
Temperature 308 °C