2-[(2-phenylazanylpyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 2-[(2-phenylazanylpyrimidin-4-yl)amino]benzoic acid Openeye Name: 2-[(2-anilinopyrimidin-4-yl)amino]benzoic acid CAS Name: 2-[(2-anilino-4-pyrimidinyl)amino]benzoic acid IUPAC Name: 2-[(2-anilinopyrimidin-4-yl)amino]benzoic acid Traditional Name: 2-[(2-anilinopyrimidin-4-yl)amino]benzoic acid Formula: C17H14N4O2 MolecularWeight: 306.31866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C17H14N4O2/c22-16(23)13-8-4-5-9-14(13)20-15-10-11-18-17(21-15)19-12-6-2-1-3-7-12/h1-11H,(H,22,23)(H2,18,19,20,21)