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

Systemtic Name: 3-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)amino]benzoic acid Openeye Name: 3-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoic acid CAS Name: 3-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoic acid IUPAC Name: 3-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)amino]benzoic acid Traditional Name: 3-[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)amino]benzoic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)NC2=CC=CC(=C2)C(=O)O)C

Isomeric SMILES

CC1=C(NC(=NC1=O)NC2=CC=CC(=C2)C(=O)O)C

InChI

InChI=1S/C13H13N3O3/c1-7-8(2)14-13(16-11(7)17)15-10-5-3-4-9(6-10)12(18)19/h3-6H,1-2H3,(H,18,19)(H2,14,15,16,17)