N-(7H-purin-6-yl)-6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazine-3-carboxamide

Systemtic Name: N-(7H-purin-6-yl)-6-[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]pyridazine-3-carboxamide Openeye Name: N-(7H-purin-6-yl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide CAS Name: 6-[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-N-(7H-purin-6-yl)-3-pyridazinecarboxamide IUPAC Name: N-(7H-purin-6-yl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide Traditional Name: N-(7H-purin-6-yl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazino]pyridazine-3-carboxamide Formula: C22H18F3N9O2 MolecularWeight: 497.43263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NN=C(C=C2)C(=O)NC3=NC=NC4=C3NC=N4)C(=O)C5=CC=CC=C5C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NN=C(C=C2)C(=O)NC3=NC=NC4=C3NC=N4)C(=O)C5=CC=CC=C5C(F)(F)F

InChI

InChI=1S/C22H18F3N9O2/c23-22(24,25)14-4-2-1-3-13(14)21(36)34-9-7-33(8-10-34)16-6-5-15(31-32-16)20(35)30-19-17-18(27-11-26-17)28-12-29-19/h1-6,11-12H,7-10H2,(H2,26,27,28,29,30,35)