4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(4-fluorophenyl)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzoic acid Formula: C17H12FN3O2 MolecularWeight: 309.294483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC(=NC=N2)NC3=CC=C(C=C3)C(=O)O)F

Isomeric SMILES

C1=CC(=CC=C1C2=CC(=NC=N2)NC3=CC=C(C=C3)C(=O)O)F

InChI

InChI=1S/C17H12FN3O2/c18-13-5-1-11(2-6-13)15-9-16(20-10-19-15)21-14-7-3-12(4-8-14)17(22)23/h1-10H,(H,22,23)(H,19,20,21)