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8-Oxo-3,4-diphenyl-7-phenylamino-7,8-dihydropyrimido[4',5':4,5]thieno[2,3-c]pyridazine
SpectraBase Compound ID IfNSFx9z2Vi
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
Mol Weight 447.52 g/mol
Molecular Formula C26H17N5OS
Exact Mass 447.115381 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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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