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

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2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
SpectraBase Compound ID 9vIPXgA9KLa
InChI InChI=1S/C25H22BrN3O2S2/c1-15-6-2-4-8-19(15)27-21(30)14-32-25-28-23-22(18-7-3-5-9-20(18)33-23)24(31)29(25)17-12-10-16(26)11-13-17/h2,4,6,8,10-13H,3,5,7,9,14H2,1H3,(H,27,30)
InChIKey VKTCGRVMXRYGTO-UHFFFAOYSA-N
Mol Weight 540.49 g/mol
Molecular Formula C25H22BrN3O2S2
Exact Mass 539.033682 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fcfku1F4wfD
Name 2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-methylphenyl)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/C25H22BrN3O2S2/c1-15-6-2-4-8-19(15)27-21(30)14-32-25-28-23-22(18-7-3-5-9-20(18)33-23)24(31)29(25)17-12-10-16(26)11-13-17/h2,4,6,8,10-13H,3,5,7,9,14H2,1H3,(H,27,30)
InChIKey VKTCGRVMXRYGTO-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_19294
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: D13287; Labnumber: GRES-04590; SBI_ID: SBI-019297
Temperature 315 °C