4-tert-butyl-N-[2-fluoranyl-5-[6-oxidanylidene-5-(pyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-fluoranyl-5-[6-oxidanylidene-5-(pyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(pyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(4-pyrimidinylamino)-1H-pyridazin-3-yl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-fluoro-5-[6-oxo-5-(pyrimidin-4-ylamino)-1H-pyridazin-3-yl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[2-fluoro-5-[6-keto-5-(4-pyrimidylamino)-1H-pyridazin-3-yl]phenyl]benzamide Formula: C25H23FN6O2 MolecularWeight: 458.487523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=NNC(=O)C(=C3)NC4=NC=NC=C4)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=NNC(=O)C(=C3)NC4=NC=NC=C4)F

InChI

InChI=1S/C25H23FN6O2/c1-25(2,3)17-7-4-15(5-8-17)23(33)30-20-12-16(6-9-18(20)26)19-13-21(24(34)32-31-19)29-22-10-11-27-14-28-22/h4-14H,1-3H3,(H,30,33)(H,32,34)(H,27,28,29,31)