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

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N-(3,4-dimethoxyphenyl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID EdetDbgtJw4
InChI InChI=1S/C28H29N3O5S2/c1-4-36-19-12-10-18(11-13-19)31-27(33)25-20-7-5-6-8-23(20)38-26(25)30-28(31)37-16-24(32)29-17-9-14-21(34-2)22(15-17)35-3/h9-15H,4-8,16H2,1-3H3,(H,29,32)
InChIKey FTQNUZPUCRKJTI-UHFFFAOYSA-N
Mol Weight 551.68 g/mol
Molecular Formula C28H29N3O5S2
Exact Mass 551.154863 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L5jzDl4dyHl
Name N-(3,4-dimethoxyphenyl)-2-{[3-(4-ethoxyphenyl)-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/C28H29N3O5S2/c1-4-36-19-12-10-18(11-13-19)31-27(33)25-20-7-5-6-8-23(20)38-26(25)30-28(31)37-16-24(32)29-17-9-14-21(34-2)22(15-17)35-3/h9-15H,4-8,16H2,1-3H3,(H,29,32)
InChIKey FTQNUZPUCRKJTI-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17349
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: D25619; Labnumber: GRES-04709; SBI_ID: SBI-017352
Temperature 306 °C