SpectraBase Spectrum ID |
ITD6USNun4n |
Name |
8-oxo-3,4-Diphenyl-7-phenylamino-7,8-dihydropyrimido[4',5':4,5]thieno[2,3-C]pyridazine |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
447.115381360 u |
Formula |
C26H17N5OS |
InChI |
InChI=1S/C26H17N5OS/c32-26-24-23(27-16-31(26)30-19-14-8-3-9-15-19)21-20(17-10-4-1-5-11-17)22(28-29-25(21)33-24)18-12-6-2-7-13-18/h1-16,30H |
InChIKey |
DATHNFVRDXENHN-UHFFFAOYSA-N |
Molecular Weight |
447.516 g/mol |
SMILES |
C12=C(C3=C(C(C4=CC=CC=C4)=NN=C3S1)C=1C=CC=CC1)N=CN(C2=O)NC1=CC=CC=C1 |