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

Systemtic Name: 4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzoic acid Openeye Name: 4-[[4-(4-pyridyl)pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[(4-pyridin-4-yl-2-pyrimidinyl)amino]benzoic acid IUPAC Name: 4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzoic acid Traditional Name: 4-[[4-(4-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=C1C(=O)O)NC2=NC=CC(=N2)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=NC=CC(=N2)C3=CC=NC=C3

InChI

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