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N-[5-(acetylamino)-2-methoxyphenyl]-2-{[3-(4-bromophenyl)-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-[5-(acetylamino)-2-methoxyphenyl]-2-{[3-(4-bromophenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
SpectraBase Compound ID K2FRomZU6AW
InChI InChI=1S/C27H25BrN4O4S2/c1-15(33)29-17-9-12-21(36-2)20(13-17)30-23(34)14-37-27-31-25-24(19-5-3-4-6-22(19)38-25)26(35)32(27)18-10-7-16(28)8-11-18/h7-13H,3-6,14H2,1-2H3,(H,29,33)(H,30,34)
InChIKey VBDYMOGWVNAZHX-UHFFFAOYSA-N
Mol Weight 613.55 g/mol
Molecular Formula C27H25BrN4O4S2
Exact Mass 612.050061 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8Xyyj8zNz4Y
Name N-[5-(acetylamino)-2-methoxyphenyl]-2-{[3-(4-bromophenyl)-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/C27H25BrN4O4S2/c1-15(33)29-17-9-12-21(36-2)20(13-17)30-23(34)14-37-27-31-25-24(19-5-3-4-6-22(19)38-25)26(35)32(27)18-10-7-16(28)8-11-18/h7-13H,3-6,14H2,1-2H3,(H,29,33)(H,30,34)
InChIKey VBDYMOGWVNAZHX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17075
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: D25487; Labnumber: GRES-04561; SBI_ID: SBI-017078
Temperature 308 °C