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6-(2-Ethoxycarbonylvinyl)-5-(N'-isopropyl-N"-phenylguanidino)-3,4-diphenylthieno[2,3-c]pyridazine
SpectraBase Compound ID 3w06LQG2Qsw
InChI InChI=1S/C33H31N5O2S/c1-4-40-27(39)21-20-26-31(36-33(34-22(2)3)35-25-18-12-7-13-19-25)29-28(23-14-8-5-9-15-23)30(37-38-32(29)41-26)24-16-10-6-11-17-24/h5-22H,4H2,1-3H3,(H2,34,35,36)/b21-20+
InChIKey PXDJVDJHNOMFEO-QZQOTICOSA-N
Mol Weight 561.7 g/mol
Molecular Formula C33H31N5O2S
Exact Mass 561.219846 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zqm88tTBQ
Name 6-(2-Ethoxycarbonylvinyl)-5-(N'-isopropyl-N"-phenylguanidino)-3,4-diphenylthieno[2,3-c]pyridazine
Alternate Name(s) Ethyl (2E)-3-(5-{[(Z)-(isopropylamino)(phenylimino)methyl]amino}-3,4-diphenylthieno[2,3-c]pyridazin-6-yl)-2-propenoate (E)-3-[5-[[anilino(propan-2-ylimino)methyl]amino]-3,4-diphenyl-6-thieno[2,3-c]pyridazinyl]-2-propenoic acid ethyl ester Ethyl (E)-3-[3,4-diphenyl-5-[(N-phenyl-N'-propan-2-ylcarbamimidoyl)amino]thieno[2,3-c]pyridazin-6-yl]prop-2-enoate Ethyl (E)-3-[5-[(N'-isopropyl-N-phenyl-carbamimidoyl)amino]-3,4-diphenyl-thieno[2,3-c]pyridazin-6-yl]prop-2-enoate Ethyl (E)-3-[3,4-diphenyl-5-[(N-phenyl-N'-propan-2-yl-carbamimidoyl)amino]thieno[2,3-c]pyridazin-6-yl]prop-2-enoate
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Formula C33H31N5O2S
InChI InChI=1S/C33H31N5O2S/c1-4-40-27(39)21-20-26-31(36-33(34-22(2)3)35-25-18-12-7-13-19-25)29-28(23-14-8-5-9-15-23)30(37-38-32(29)41-26)24-16-10-6-11-17-24/h5-22H,4H2,1-3H3,(H2,34,35,36)/b21-20+
InChIKey PXDJVDJHNOMFEO-QZQOTICOSA-N
Molecular Weight 561.704 g/mol
SMILES N(\C(=N/c1ccccc1)NC(C)C)c1c2c(sc1\C=C\C(=O)OCC)nnc(c2-c1ccccc1)-c1ccccc1
SPLASH splash10-03ml-9101340000-2209e9f52f80e5400118
Source of Spectrum F-54-8115-5
Wiley ID 807845