3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoic acid hydrochloride

Systemtic Name: 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoic acid hydrochloride Openeye Name: 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoic acid hydrochloride CAS Name: 3-[(2,6-dimethyl-4-pyrimidinyl)amino]benzoic acid hydrochloride IUPAC Name: 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoic acid hydrochloride Traditional Name: 3-[(2,6-dimethylpyrimidin-4-yl)amino]benzoic acid hydrochloride Formula: C13H14ClN3O2 MolecularWeight: 279.72216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C)NC2=CC=CC(=C2)C(=O)O.Cl

Isomeric SMILES

CC1=CC(=NC(=N1)C)NC2=CC=CC(=C2)C(=O)O.Cl

InChI

InChI=1S/C13H13N3O2.ClH/c1-8-6-12(15-9(2)14-8)16-11-5-3-4-10(7-11)13(17)18;/h3-7H,1-2H3,(H,17,18)(H,14,15,16);1H