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N'-[(Z)-(2,4-dihydroxyphenyl)methylidene]-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'-[(Z)-(2,4-dihydroxyphenyl)methylidene]-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 9VGqis6CTO5
InChI InChI=1S/C25H22N4O4S2/c30-17-11-10-15(19(31)12-17)13-26-28-21(32)14-34-25-27-23-22(18-8-4-5-9-20(18)35-23)24(33)29(25)16-6-2-1-3-7-16/h1-3,6-7,10-13,30-31H,4-5,8-9,14H2,(H,28,32)/b26-13-
InChIKey JNSRFLIIOJPBDP-ZMFRSBBQSA-N
Mol Weight 506.6 g/mol
Molecular Formula C25H22N4O4S2
Exact Mass 506.108248 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kGKH6xzn18
Name N'-[(Z)-(2,4-dihydroxyphenyl)methylidene]-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 506.108247548 u
Formula C25H22N4O4S2
InChI InChI=1S/C25H22N4O4S2/c30-17-11-10-15(19(31)12-17)13-26-28-21(32)14-34-25-27-23-22(18-8-4-5-9-20(18)35-23)24(33)29(25)16-6-2-1-3-7-16/h1-3,6-7,10-13,30-31H,4-5,8-9,14H2,(H,28,32)/b26-13-
InChIKey JNSRFLIIOJPBDP-ZMFRSBBQSA-N
Molecular Weight 506.595 g/mol
SMILES N(\N=C/C=1C(=CC(=CC1)O)O)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C=1C=CC=CC1)=O