4-[[2-[(4-carboxyphenyl)amino]-5-methyl-pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[2-[(4-carboxyphenyl)amino]-5-methyl-pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[2-(4-carboxyanilino)-5-methyl-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[2-(4-carboxyanilino)-5-methyl-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-carboxyanilino)-5-methylpyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[2-(4-carboxyanilino)-5-methyl-pyrimidin-4-yl]amino]benzoic acid Formula: C19H16N4O4 MolecularWeight: 364.35474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CN=C(N=C1NC2=CC=C(C=C2)C(=O)O)NC3=CC=C(C=C3)C(=O)O

InChI

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