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N-[1,1'-biphenyl]-2-yl-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: 1 NMR

N-[1,1'-biphenyl]-2-yl-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 HN5ITsLziQB
InChI InChI=1S/C31H27N3O3S2/c1-37-22-17-15-21(16-18-22)34-30(36)28-24-12-6-8-14-26(24)39-29(28)33-31(34)38-19-27(35)32-25-13-7-5-11-23(25)20-9-3-2-4-10-20/h2-5,7,9-11,13,15-18H,6,8,12,14,19H2,1H3,(H,32,35)
InChIKey KTRCSGRIAFSFLR-UHFFFAOYSA-N
Mol Weight 553.7 g/mol
Molecular Formula C31H27N3O3S2
Exact Mass 553.149384 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9xf8e4S5O0h
Name N-[1,1'-biphenyl]-2-yl-2-{[3-(4-methoxyphenyl)-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/C31H27N3O3S2/c1-37-22-17-15-21(16-18-22)34-30(36)28-24-12-6-8-14-26(24)39-29(28)33-31(34)38-19-27(35)32-25-13-7-5-11-23(25)20-9-3-2-4-10-20/h2-5,7,9-11,13,15-18H,6,8,12,14,19H2,1H3,(H,32,35)
InChIKey KTRCSGRIAFSFLR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17127
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: D25547; Labnumber: GRES-04627; SBI_ID: SBI-017130
Temperature 308 °C