3-[(5-ethyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]benzoic acid

Systemtic Name: 3-[(5-ethyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-2-yl)amino]benzoic acid Openeye Name: 3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid IUPAC Name: 3-[(5-ethyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)amino]benzoic acid Traditional Name: 3-[(5-ethyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)amino]benzoic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)NC2=CC=CC(=C2)C(=O)O)O

Isomeric SMILES

CCC1=C(N=C(NC1=O)NC2=CC=CC(=C2)C(=O)O)O

InChI

InChI=1S/C13H13N3O4/c1-2-9-10(17)15-13(16-11(9)18)14-8-5-3-4-7(6-8)12(19)20/h3-6H,2H2,1H3,(H,19,20)(H3,14,15,16,17,18)