3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid

Systemtic Name: 3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid Openeye Name: 3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzoic acid Traditional Name: 3-[[4-(3-pyridyl)pyrimidin-2-yl]amino]benzoic acid Formula: C16H12N4O2 MolecularWeight: 292.29208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C16H12N4O2/c21-15(22)11-3-1-5-13(9-11)19-16-18-8-6-14(20-16)12-4-2-7-17-10-12/h1-10H,(H,21,22)(H,18,19,20)