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N-(2-chloro-4,6-dimethylphenyl)-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-(2-chloro-4,6-dimethylphenyl)-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 1sGqExBf2gO
InChI InChI=1S/C27H26ClN3O3S2/c1-15-12-16(2)24(20(28)13-15)29-22(32)14-35-27-30-25-23(19-6-4-5-7-21(19)36-25)26(33)31(27)17-8-10-18(34-3)11-9-17/h8-13H,4-7,14H2,1-3H3,(H,29,32)
InChIKey QQPYEIIOUWKILL-UHFFFAOYSA-N
Mol Weight 540.1 g/mol
Molecular Formula C27H26ClN3O3S2
Exact Mass 539.110412 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B01I4cdrO8N
Name N-(2-chloro-4,6-dimethylphenyl)-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/C27H26ClN3O3S2/c1-15-12-16(2)24(20(28)13-15)29-22(32)14-35-27-30-25-23(19-6-4-5-7-21(19)36-25)26(33)31(27)17-8-10-18(34-3)11-9-17/h8-13H,4-7,14H2,1-3H3,(H,29,32)
InChIKey QQPYEIIOUWKILL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17125
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: D25545; Labnumber: GRES-04625; SBI_ID: SBI-017128
Temperature 308 °C