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N'-[(E)-(3-methoxyphenyl)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 8L6Lcb6LWhD
InChI InChI=1S/C26H24N4O3S2/c1-33-19-11-7-8-17(14-19)15-27-29-22(31)16-34-26-28-24-23(20-12-5-6-13-21(20)35-24)25(32)30(26)18-9-3-2-4-10-18/h2-4,7-11,14-15H,5-6,12-13,16H2,1H3,(H,29,31)/b27-15+
InChIKey KLKMJBDNGAXCBK-JFLMPSFJSA-N
Mol Weight 504.62 g/mol
Molecular Formula C26H24N4O3S2
Exact Mass 504.128983 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7W3LMuyaJBx
Name N'-[(E)-(3-methoxyphenyl)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 504.128982994 u
Formula C26H24N4O3S2
InChI InChI=1S/C26H24N4O3S2/c1-33-19-11-7-8-17(14-19)15-27-29-22(31)16-34-26-28-24-23(20-12-5-6-13-21(20)35-24)25(32)30(26)18-9-3-2-4-10-18/h2-4,7-11,14-15H,5-6,12-13,16H2,1H3,(H,29,31)/b27-15+
InChIKey KLKMJBDNGAXCBK-JFLMPSFJSA-N
Molecular Weight 504.623 g/mol
SMILES N(\N=C\C=1C=C(OC)C=CC1)C(CSC=1N(C(C2=C(N1)SC1=C2CCCC1)=O)C1=CC=CC=C1)=O