6-butyl-1-(4-fluorophenyl)-4-oxidanylidene-N-(7H-purin-8-ylsulfonyl)pyridazine-3-carboxamide

Systemtic Name: 6-butyl-1-(4-fluorophenyl)-4-oxidanylidene-N-(7H-purin-8-ylsulfonyl)pyridazine-3-carboxamide Openeye Name: 6-butyl-1-(4-fluorophenyl)-4-oxo-N-(7H-purin-8-ylsulfonyl)pyridazine-3-carboxamide CAS Name: 6-butyl-1-(4-fluorophenyl)-4-oxo-N-(7H-purin-8-ylsulfonyl)-3-pyridazinecarboxamide IUPAC Name: 6-butyl-1-(4-fluorophenyl)-4-oxo-N-(7H-purin-8-ylsulfonyl)pyridazine-3-carboxamide Traditional Name: 6-butyl-1-(4-fluorophenyl)-4-keto-N-(7H-purin-8-ylsulfonyl)pyridazine-3-carboxamide Formula: C20H18FN7O4S MolecularWeight: 471.464823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)C(=NN1C2=CC=C(C=C2)F)C(=O)NS(=O)(=O)C3=NC4=NC=NC=C4N3

Isomeric SMILES

CCCCC1=CC(=O)C(=NN1C2=CC=C(C=C2)F)C(=O)NS(=O)(=O)C3=NC4=NC=NC=C4N3

InChI

InChI=1S/C20H18FN7O4S/c1-2-3-4-14-9-16(29)17(26-28(14)13-7-5-12(21)6-8-13)19(30)27-33(31,32)20-24-15-10-22-11-23-18(15)25-20/h5-11H,2-4H2,1H3,(H,27,30)(H,22,23,24,25)