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

Systemtic Name: 4-[[2-[(4-carboxyphenyl)amino]pyrimidin-4-yl]amino]benzoic acid hydrochloride Openeye Name: 4-[[2-(4-carboxyanilino)pyrimidin-4-yl]amino]benzoic acid hydrochloride CAS Name: 4-[[2-(4-carboxyanilino)-4-pyrimidinyl]amino]benzoic acid hydrochloride IUPAC Name: 4-[[2-(4-carboxyanilino)pyrimidin-4-yl]amino]benzoic acid hydrochloride Traditional Name: 4-[[2-(4-carboxyanilino)pyrimidin-4-yl]amino]benzoic acid hydrochloride Formula: C18H15ClN4O4 MolecularWeight: 386.7891

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)O.Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C(=O)O.Cl

InChI

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