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

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N-(1,3-benzodioxol-5-yl)-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 Hu3qMVXVTEE
InChI InChI=1S/C25H20BrN3O4S2/c26-14-5-8-16(9-6-14)29-24(31)22-17-3-1-2-4-20(17)35-23(22)28-25(29)34-12-21(30)27-15-7-10-18-19(11-15)33-13-32-18/h5-11H,1-4,12-13H2,(H,27,30)
InChIKey WMLYYYZGKJEYNR-UHFFFAOYSA-N
Mol Weight 570.48 g/mol
Molecular Formula C25H20BrN3O4S2
Exact Mass 569.007861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID hbCMw5cLpw
Name N-(1,3-benzodioxol-5-yl)-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/C25H20BrN3O4S2/c26-14-5-8-16(9-6-14)29-24(31)22-17-3-1-2-4-20(17)35-23(22)28-25(29)34-12-21(30)27-15-7-10-18-19(11-15)33-13-32-18/h5-11H,1-4,12-13H2,(H,27,30)
InChIKey WMLYYYZGKJEYNR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17065
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: D25472; Labnumber: GRES-04546; SBI_ID: SBI-017068
Temperature 308 °C