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6-(2-Ethoxycarbonylvinyl)-5-[isopropylamino(4-methylpiperidin-1-yl)methyleneamino]-3,4-diphenylthieno[2,3-c]pyridazine
SpectraBase Compound ID 9ENDnC3YtrK
InChI InChI=1S/C32H36N6O2S/c1-5-40-26(39)17-16-25-30(34-32(33-22(2)3)38-20-18-37(4)19-21-38)28-27(23-12-8-6-9-13-23)29(35-36-31(28)41-25)24-14-10-7-11-15-24/h6-17,22H,5,18-21H2,1-4H3,(H,33,34)/b17-16+
InChIKey QPZPKJGVIMRYPY-WUKNDPDISA-N
Mol Weight 568.7 g/mol
Molecular Formula C32H36N6O2S
Exact Mass 568.262046 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8142qZ4dEu4
Name 6-(2-Ethoxycarbonylvinyl)-5-[isopropylamino(4-methylpiperidin-1-yl)methyleneamino]-3,4-diphenylthieno[2,3-C]pyridazine
Comments Computed using HOSE algorithm
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Exact Mass 568.262045595 u
Formula C32H36N6O2S
InChI InChI=1S/C32H36N6O2S/c1-5-40-26(39)17-16-25-30(34-32(33-22(2)3)38-20-18-37(4)19-21-38)28-27(23-12-8-6-9-13-23)29(35-36-31(28)41-25)24-14-10-7-11-15-24/h6-17,22H,5,18-21H2,1-4H3,(H,33,34)/b17-16+
InChIKey QPZPKJGVIMRYPY-WUKNDPDISA-N
Molecular Weight 568.740 g/mol
SMILES C=12C(\N=C\(N3CCN(CC3)C)NC(C)C)=C(\C=C\C(=O)OCC)SC1N=NC(=C2C=1C=CC=CC1)C1=CC=CC=C1