3-[[2-[(3-carboxylatophenyl)amino]pyrimidin-4-yl]amino]benzoate

Systemtic Name: 3-[[2-[(3-carboxylatophenyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: 3-[[2-(3-carboxylatoanilino)pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[2-(3-carboxylatoanilino)-4-pyrimidinyl]amino]benzoate IUPAC Name: 3-[[2-(3-carboxylatoanilino)pyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[2-(3-carboxylatoanilino)pyrimidin-4-yl]amino]benzoate Formula: C18H12N4O4-2 MolecularWeight: 348.31228

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H14N4O4/c23-16(24)11-3-1-5-13(9-11)20-15-7-8-19-18(22-15)21-14-6-2-4-12(10-14)17(25)26/h1-10H,(H,23,24)(H,25,26)(H2,19,20,21,22)/p-2