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

Systemtic Name: 2-[[2-[(2-carboxyphenyl)-methyl-amino]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 2-[[2-(2-carboxy-N-methyl-anilino)pyrimidin-4-yl]amino]benzoic acid CAS Name: 2-[[2-(2-carboxy-N-methylanilino)-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-[[2-(2-carboxy-N-methylanilino)pyrimidin-4-yl]amino]benzoic acid Traditional Name: 2-[[2-(2-carboxy-N-methyl-anilino)pyrimidin-4-yl]amino]benzoic acid Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)O)C2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)O)C2=NC=CC(=N2)NC3=CC=CC=C3C(=O)O

InChI

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