4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzoic acid

Systemtic Name: 4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzoic acid Openeye Name: 4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzoic acid CAS Name: 4-[[4-(3-pyrazolo[1,5-b]pyridazinyl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzoic acid Traditional Name: 4-[(4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-yl)amino]benzoic acid Formula: C17H12N6O2 MolecularWeight: 332.31618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=NN2N=C1)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC2=C(C=NN2N=C1)C3=NC(=NC=C3)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C17H12N6O2/c24-16(25)11-3-5-12(6-4-11)21-17-18-9-7-14(22-17)13-10-20-23-15(13)2-1-8-19-23/h1-10H,(H,24,25)(H,18,21,22)