3-[[2-[(3-carboxyphenyl)amino]-6-methyl-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 3-[[2-[(3-carboxyphenyl)amino]-6-methyl-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 3-[[2-(3-carboxyanilino)-6-methyl-pyrimidin-4-yl]amino]benzoic acid CAS Name: 3-[[2-(3-carboxyanilino)-6-methyl-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 3-[[2-(3-carboxyanilino)-6-methylpyrimidin-4-yl]amino]benzoic acid Traditional Name: 3-[[2-(3-carboxyanilino)-6-methyl-pyrimidin-4-yl]amino]benzoic acid Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=CC(=C2)C(=O)O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=CC(=C2)C(=O)O)NC3=CC=CC(=C3)C(=O)O

InChI

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