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N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetohydrazide
SpectraBase Compound ID FCpOuIszwc3
InChI InChI=1S/C26H24N4O5S/c1-33-19-10-8-18(9-11-19)30-25(32)21-6-4-5-7-22(21)28-26(30)36-16-24(31)29-27-15-17-14-20(34-2)12-13-23(17)35-3/h4-15H,16H2,1-3H3,(H,29,31)/b27-15+
InChIKey NRPPIPMSWROIPF-JFLMPSFJSA-N
Mol Weight 504.56 g/mol
Molecular Formula C26H24N4O5S
Exact Mass 504.146741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Eadg30vXQNa
Name N'-[(E)-(2,5-dimethoxyphenyl)methylidene]-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}acetohydrazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 504.146741058 u
Formula C26H24N4O5S
InChI InChI=1S/C26H24N4O5S/c1-33-19-10-8-18(9-11-19)30-25(32)21-6-4-5-7-22(21)28-26(30)36-16-24(31)29-27-15-17-14-20(34-2)12-13-23(17)35-3/h4-15H,16H2,1-3H3,(H,29,31)/b27-15+
InChIKey NRPPIPMSWROIPF-JFLMPSFJSA-N
Molecular Weight 504.561 g/mol
SMILES N(\N=C\C=1C(=CC=C(C1)OC)OC)C(CSC=1N(C(C=2C(=CC=CC2)N1)=O)C1=CC=C(C=C1)OC)=O