4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]benzoic acid

Systemtic Name: 4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]benzoic acid Openeye Name: 4-[2-(4-pyridylamino)pyrimidin-4-yl]benzoic acid CAS Name: 4-[2-(pyridin-4-ylamino)-4-pyrimidinyl]benzoic acid IUPAC Name: 4-[2-(pyridin-4-ylamino)pyrimidin-4-yl]benzoic acid Traditional Name: 4-[2-(4-pyridylamino)pyrimidin-4-yl]benzoic acid Formula: C16H12N4O2 MolecularWeight: 292.29208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC=NC=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=NC=C2)NC3=CC=NC=C3)C(=O)O

InChI

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