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

Systemtic Name: sodium; 2-[[2-[(2-carboxylatophenyl)amino]pyrimidin-4-yl]amino]benzoate; sodium Openeye Name: sodium; 2-[[2-(2-carboxylatoanilino)pyrimidin-4-yl]amino]benzoate; sodium CAS Name: sodium; 2-[[2-(2-carboxylatoanilino)-4-pyrimidinyl]amino]benzoate; sodium IUPAC Name: sodium; 2-[[2-(2-carboxylatoanilino)pyrimidin-4-yl]amino]benzoate; sodium Traditional Name: sodium; 2-[[2-(2-carboxylatoanilino)pyrimidin-4-yl]amino]benzoate; sodium Formula: C18H12N4Na2O4- MolecularWeight: 394.29182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NC2=NC(=NC=C2)NC3=CC=CC=C3C(=O)[O-].[Na].[Na+]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NC2=NC(=NC=C2)NC3=CC=CC=C3C(=O)[O-].[Na].[Na+]

InChI

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