3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzoic acid

Systemtic Name: 3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzoic acid Openeye Name: 3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzoic acid CAS Name: 3-[[3-cyano-8-(cyclopropylamino)-6-imidazo[1,2-b]pyridazinyl]amino]benzoic acid IUPAC Name: 3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzoic acid Traditional Name: 3-[[3-cyano-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzoic acid Formula: C17H14N6O2 MolecularWeight: 334.33206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=CC(=NN3C2=NC=C3C#N)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CC1NC2=CC(=NN3C2=NC=C3C#N)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C17H14N6O2/c18-8-13-9-19-16-14(20-11-4-5-11)7-15(22-23(13)16)21-12-3-1-2-10(6-12)17(24)25/h1-3,6-7,9,11,20H,4-5H2,(H,21,22)(H,24,25)