4-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazine-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(methylcarbamoylamino)-6-imidazo[1,2-b]pyridazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazine-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazine-6-carbonyl]amino]benzoic acid Formula: C16H14N6O4 MolecularWeight: 354.32016

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=CN2C(=N1)C=CC(=N2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CNC(=O)NC1=CN2C(=N1)C=CC(=N2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H14N6O4/c1-17-16(26)20-12-8-22-13(19-12)7-6-11(21-22)14(23)18-10-4-2-9(3-5-10)15(24)25/h2-8H,1H3,(H,18,23)(H,24,25)(H2,17,20,26)