3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid

Systemtic Name: 3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid Openeye Name: 3-[6-(tetrahydropyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid CAS Name: 3-[6-(4-oxanylamino)-3-imidazo[1,2-b]pyridazinyl]benzoic acid IUPAC Name: 3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid Traditional Name: 3-[6-(tetrahydropyran-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1NC2=NN3C(=NC=C3C4=CC(=CC=C4)C(=O)O)C=C2

Isomeric SMILES

C1COCCC1NC2=NN3C(=NC=C3C4=CC(=CC=C4)C(=O)O)C=C2

InChI

InChI=1S/C18H18N4O3/c23-18(24)13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-25-9-7-14/h1-5,10-11,14H,6-9H2,(H,20,21)(H,23,24)