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N'-[(E)-1-(4-methoxyphenyl)ethylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide

View entire compound with spectra: 2 NMR

N'-[(E)-1-(4-methoxyphenyl)ethylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetohydrazide
SpectraBase Compound ID DRp8tvSu9eJ
InChI InChI=1S/C27H26N4O3S2/c1-17(18-12-14-20(34-2)15-13-18)29-30-23(32)16-35-27-28-25-24(21-10-6-7-11-22(21)36-25)26(33)31(27)19-8-4-3-5-9-19/h3-5,8-9,12-15H,6-7,10-11,16H2,1-2H3,(H,30,32)/b29-17+
InChIKey UWKRETFBGNENPC-STBIYBPSSA-N
Mol Weight 518.65 g/mol
Molecular Formula C27H26N4O3S2
Exact Mass 518.144633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3jm2abohTVP
Name N'-[(E)-1-(4-methoxyphenyl)ethylidene]-2-[(4-oxo-3-phenyl-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-yl)sulfanyl]acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.144633058 u
Formula C27H26N4O3S2
InChI InChI=1S/C27H26N4O3S2/c1-17(18-12-14-20(34-2)15-13-18)29-30-23(32)16-35-27-28-25-24(21-10-6-7-11-22(21)36-25)26(33)31(27)19-8-4-3-5-9-19/h3-5,8-9,12-15H,6-7,10-11,16H2,1-2H3,(H,30,32)/b29-17+
InChIKey UWKRETFBGNENPC-STBIYBPSSA-N
Molecular Weight 518.650 g/mol
SMILES N(\N=C\(C1=CC=C(C=C1)OC)C)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C=1C=CC=CC1)=O