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6-(2-Ethoxycarbonylvinyl)-5-(isopropylaminopiperidin-1-ylmethyleneamino)-3,4-diphenylthieno[2,3-c]pyridazine
SpectraBase Compound ID Iz2AfilCGyW
InChI InChI=1S/C32H35N5O2S/c1-4-39-26(38)19-18-25-30(34-32(33-22(2)3)37-20-12-7-13-21-37)28-27(23-14-8-5-9-15-23)29(35-36-31(28)40-25)24-16-10-6-11-17-24/h5-6,8-11,14-19,22H,4,7,12-13,20-21H2,1-3H3,(H,33,34)/b19-18+
InChIKey OAQIUJXRNHWRRR-VHEBQXMUSA-N
Mol Weight 553.7 g/mol
Molecular Formula C32H35N5O2S
Exact Mass 553.251147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9W4Sd2hLC8k
Name 6-(2-Ethoxycarbonylvinyl)-5-(isopropylaminopiperidin-1-ylmethyleneamino)-3,4-diphenylthieno[2,3-c]pyridazine
Alternate Name(s) Ethyl (2E)-3-(5-{[(E)-(isopropylamino)(1-piperidinyl)methylidene]amino}-3,4-diphenylthieno[2,3-c]pyridazin-6-yl)-2-propenoate (E)-3-[3,4-diphenyl-5-[[1-piperidinyl(propan-2-ylimino)methyl]amino]-6-thieno[2,3-c]pyridazinyl]-2-propenoic acid ethyl ester Ethyl (E)-3-[3,4-diphenyl-5-[(C-piperidin-1-yl-N-propan-2-ylcarbonimidoyl)amino]thieno[2,3-c]pyridazin-6-yl]prop-2-enoate Ethyl (E)-3-[5-[[N-isopropyl-C-(1-piperidyl)carbonimidoyl]amino]-3,4-diphenyl-thieno[2,3-c]pyridazin-6-yl]prop-2-enoate Ethyl (E)-3-[3,4-diphenyl-5-[(C-piperidin-1-yl-N-propan-2-yl-carbonimidoyl)amino]thieno[2,3-c]pyridazin-6-yl]prop-2-enoate
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Formula C32H35N5O2S
InChI InChI=1S/C32H35N5O2S/c1-4-39-26(38)19-18-25-30(34-32(33-22(2)3)37-20-12-7-13-21-37)28-27(23-14-8-5-9-15-23)29(35-36-31(28)40-25)24-16-10-6-11-17-24/h5-6,8-11,14-19,22H,4,7,12-13,20-21H2,1-3H3,(H,33,34)/b19-18+
InChIKey OAQIUJXRNHWRRR-VHEBQXMUSA-N
Molecular Weight 553.725 g/mol
SMILES N(\C(=N/c1c2c(sc1\C=C\C(=O)OCC)nnc(c2-c1ccccc1)-c1ccccc1)N1CCCCC1)C(C)C
SPLASH splash10-0f89-7300390000-b860b4a4c6963224c814
Source of Spectrum F-54-8113-5
Wiley ID 807848