4-(2-phenylazanylpyrimidin-4-yl)benzoic acid

Systemtic Name: 4-(2-phenylazanylpyrimidin-4-yl)benzoic acid Openeye Name: 4-(2-anilinopyrimidin-4-yl)benzoic acid CAS Name: 4-(2-anilino-4-pyrimidinyl)benzoic acid IUPAC Name: 4-(2-anilinopyrimidin-4-yl)benzoic acid Traditional Name: 4-(2-anilinopyrimidin-4-yl)benzoic acid Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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