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N-(3,4-dimethoxyphenyl)-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: 2 NMR

N-(3,4-dimethoxyphenyl)-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 Eh4vbGWV090
InChI InChI=1S/C27H27N3O5S2/c1-33-18-11-9-17(10-12-18)30-26(32)24-19-6-4-5-7-22(19)37-25(24)29-27(30)36-15-23(31)28-16-8-13-20(34-2)21(14-16)35-3/h8-14H,4-7,15H2,1-3H3,(H,28,31)
InChIKey GASHORWLFOBMIF-UHFFFAOYSA-N
Mol Weight 537.65 g/mol
Molecular Formula C27H27N3O5S2
Exact Mass 537.139213 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IUHd1KVlqMu
Name N-(3,4-Dimethoxyphenyl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 537.139213324 u
Formula C27H27N3O5S2
InChI InChI=1S/C27H27N3O5S2/c1-33-18-11-9-17(10-12-18)30-26(32)24-19-6-4-5-7-22(19)37-25(24)29-27(30)36-15-23(31)28-16-8-13-20(34-2)21(14-16)35-3/h8-14H,4-7,15H2,1-3H3,(H,28,31)
InChIKey GASHORWLFOBMIF-UHFFFAOYSA-N
Molecular Weight 537.649 g/mol
SMILES N(C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=C(C=C1)OC)=O)C1=CC(OC)=C(C=C1)OC