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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I334vOuKGAU
Name 6-(2-Ethoxycarbonylvinyl)-5-[isopropylamino(4-methylpiperidin-1-yl)methyleneamino]-3,4-diphenylthieno[2,3-c]pyridazine
Alternate Name(s) 6-(2-Ethoxycarbonylvinyl)-5-[isopropylamino(4-methylpiperazin-1-yl)methyleneamino]-3,4-diphenylthieno[2,3-c]pyridazine (E)-3-[5-[[(4-methyl-1-piperazinyl)-propan-2-yliminomethyl]amino]-3,4-diphenyl-6-thieno[2,3-c]pyridazinyl]-2-propenoic acid ethyl ester Ethyl (E)-3-[5-[[C-(4-methylpiperazin-1-yl)-N-propan-2-ylcarbonimidoyl]amino]-3,4-diphenylthieno[2,3-c]pyridazin-6-yl]prop-2-enoate Ethyl (E)-3-[5-[[N-isopropyl-C-(4-methylpiperazin-1-yl)carbonimidoyl]amino]-3,4-diphenyl-thieno[2,3-c]pyridazin-6-yl]prop-2-enoate Ethyl (E)-3-[5-[[C-(4-methylpiperazin-1-yl)-N-propan-2-yl-carbonimidoyl]amino]-3,4-diphenyl-thieno[2,3-c]pyridazin-6-yl]prop-2-enoate
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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 N(\C(=N/c1c2c(sc1\C=C\C(=O)OCC)nnc(c2-c1ccccc1)-c1ccccc1)N1CCN(CC1)C)C(C)C
SPLASH splash10-006t-9001420000-e626a5365a610d1ca0dd
Source of Spectrum F-54-8113-5
Wiley ID 807847