2-[[2-[(2-carboxyphenyl)amino]-6-methyl-pyrimidin-4-yl]amino]benzoic acid hydrochloride

Systemtic Name: 2-[[2-[(2-carboxyphenyl)amino]-6-methyl-pyrimidin-4-yl]amino]benzoic acid hydrochloride Openeye Name: 2-[[2-(2-carboxyanilino)-6-methyl-pyrimidin-4-yl]amino]benzoic acid hydrochloride CAS Name: 2-[[2-(2-carboxyanilino)-6-methyl-4-pyrimidinyl]amino]benzoic acid hydrochloride IUPAC Name: 2-[[2-(2-carboxyanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid hydrochloride Traditional Name: 2-[[2-(2-carboxyanilino)-6-methyl-pyrimidin-4-yl]amino]benzoic acid hydrochloride Formula: C19H17ClN4O4 MolecularWeight: 400.81568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=CC=C2C(=O)O)NC3=CC=CC=C3C(=O)O.Cl

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=CC=C2C(=O)O)NC3=CC=CC=C3C(=O)O.Cl

InChI

InChI=1S/C19H16N4O4.ClH/c1-11-10-16(21-14-8-4-2-6-12(14)17(24)25)23-19(20-11)22-15-9-5-3-7-13(15)18(26)27;/h2-10H,1H3,(H,24,25)(H,26,27)(H2,20,21,22,23);1H