2-[[2-[(2-carboxylatophenyl)amino]-6-methyl-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-[[2-[(2-carboxylatophenyl)amino]-6-methyl-pyrimidin-4-yl]amino]benzoate Openeye Name: 2-[[2-(2-carboxylatoanilino)-6-methyl-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[2-(2-carboxylatoanilino)-6-methyl-4-pyrimidinyl]amino]benzoate IUPAC Name: 2-[[2-(2-carboxylatoanilino)-6-methylpyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[2-(2-carboxylatoanilino)-6-methyl-pyrimidin-4-yl]amino]benzoate Formula: C19H14N4O4-2 MolecularWeight: 362.33886

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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-]

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=CC=C2C(=O)[O-])NC3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C19H16N4O4/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)/p-2