| SpectraBase Spectrum ID |
GgffTJv4MAa |
| Name |
6-(2-Ethoxycarbonylvinyl)-5-[(4-fluorophenylamino)piperidin-1-ylmethyleneamino]-3,4-diphenylthieno[2,3-C]pyridazine |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
605.226074625 u |
| Formula |
C35H32FN5O2S |
| InChI |
InChI=1S/C35H32FN5O2S/c1-2-43-29(42)21-20-28-33(38-35(41-22-10-5-11-23-41)37-27-18-16-26(36)17-19-27)31-30(24-12-6-3-7-13-24)32(39-40-34(31)44-28)25-14-8-4-9-15-25/h3-4,6-9,12-21H,2,5,10-11,22-23H2,1H3,(H,37,38)/b21-20+ |
| InChIKey |
JRHKOXUGXNNSER-QZQOTICOSA-N |
| Molecular Weight |
605.732 g/mol |
| SMILES |
C=12C(\N=C\(N3CCCCC3)NC=3C=CC(=CC3)F)=C(\C=C\C(=O)OCC)SC2=NN=C(C1C1=CC=CC=C1)C=1C=CC=CC1 |
![6-(2-Ethoxycarbonylvinyl)-5-[(4-fluorophenylamino)piperidin-1-ylmethyleneamino]-3,4-diphenylthieno[2,3-c]pyridazine](/api/spectrum/GgffTJv4MAa/structure.png?h=300&w=458 "6-(2-Ethoxycarbonylvinyl)-5-[(4-fluorophenylamino)piperidin-1-ylmethyleneamino]-3,4-diphenylthieno[2,3-c]pyridazine")
