3-[[2-[(3-carboxyphenyl)amino]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[2-[(3-carboxyphenyl)amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 3-[[2-(3-carboxyanilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 3-[[2-(3-carboxyanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[2-(3-carboxyanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 3-[[2-(3-carboxyanilino)pyrimidin-4-yl]amino]benzoic acid Formula: C18H14N4O4 MolecularWeight: 350.32816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H14N4O4/c23-16(24)11-3-1-5-13(9-11)20-15-7-8-19-18(22-15)21-14-6-2-4-12(10-14)17(25)26/h1-10H,(H,23,24)(H,25,26)(H2,19,20,21,22)