3-[(6-phenylpyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 3-[(6-phenylpyrimidin-4-yl)amino]benzoic acid Openeye Name: 3-[(6-phenylpyrimidin-4-yl)amino]benzoic acid CAS Name: 3-[(6-phenyl-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 3-[(6-phenylpyrimidin-4-yl)amino]benzoic acid Traditional Name: 3-[(6-phenylpyrimidin-4-yl)amino]benzoic acid Formula: C17H13N3O2 MolecularWeight: 291.30402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC=N2)NC3=CC=CC(=C3)C(=O)O

InChI

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