4-[3-(pyrimidin-2-ylamino)phenyl]benzoic acid

Systemtic Name: 4-[3-(pyrimidin-2-ylamino)phenyl]benzoic acid Openeye Name: 4-[3-(pyrimidin-2-ylamino)phenyl]benzoic acid CAS Name: 4-[3-(2-pyrimidinylamino)phenyl]benzoic acid IUPAC Name: 4-[3-(pyrimidin-2-ylamino)phenyl]benzoic acid Traditional Name: 4-[3-(2-pyrimidylamino)phenyl]benzoic acid Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O2/c21-16(22)13-7-5-12(6-8-13)14-3-1-4-15(11-14)20-17-18-9-2-10-19-17/h1-11H,(H,21,22)(H,18,19,20)