4-[[5-[2-[(4-carboxyphenyl)amino]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[5-[2-[(4-carboxyphenyl)amino]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[5-[2-(4-carboxyanilino)-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[5-[2-(4-carboxyanilino)-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 4-[[5-[2-(4-carboxyanilino)-4-hydroxy-6-oxo-1H-pyrimidin-5-yl]-4-hydroxy-6-oxo-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[5-[2-(4-carboxyanilino)-4-hydroxy-6-keto-1H-pyrimidin-5-yl]-4-hydroxy-6-keto-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C22H16N6O8 MolecularWeight: 492.39784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC2=NC(=C(C(=O)N2)C3=C(N=C(NC3=O)NC4=CC=C(C=C4)C(=O)O)O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC2=NC(=C(C(=O)N2)C3=C(N=C(NC3=O)NC4=CC=C(C=C4)C(=O)O)O)O

InChI

InChI=1S/C22H16N6O8/c29-15-13(16(30)26-21(25-15)23-11-5-1-9(2-6-11)19(33)34)14-17(31)27-22(28-18(14)32)24-12-7-3-10(4-8-12)20(35)36/h1-8H,(H,33,34)(H,35,36)(H3,23,25,26,29,30)(H3,24,27,28,31,32)