4-fluoranyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzoic acid

Systemtic Name: 4-fluoranyl-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzoic acid Openeye Name: 4-fluoro-3-[[2-(2-pyridylamino)thiazol-5-yl]methylamino]benzoic acid CAS Name: 4-fluoro-3-[[2-(2-pyridinylamino)-5-thiazolyl]methylamino]benzoic acid IUPAC Name: 4-fluoro-3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylamino]benzoic acid Traditional Name: 4-fluoro-3-[[2-(2-pyridylamino)thiazol-5-yl]methylamino]benzoic acid Formula: C16H13FN4O2S MolecularWeight: 344.363423

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NC2=NC=C(S2)CNC3=C(C=CC(=C3)C(=O)O)F

Isomeric SMILES

C1=CC=NC(=C1)NC2=NC=C(S2)CNC3=C(C=CC(=C3)C(=O)O)F

InChI

InChI=1S/C16H13FN4O2S/c17-12-5-4-10(15(22)23)7-13(12)19-8-11-9-20-16(24-11)21-14-3-1-2-6-18-14/h1-7,9,19H,8H2,(H,22,23)(H,18,20,21)