3-oxidanyl-5-[(5-oxidanyl-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoic acid

Systemtic Name: 3-oxidanyl-5-[(5-oxidanyl-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoic acid Openeye Name: 3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoic acid CAS Name: 3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoic acid IUPAC Name: 3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoic acid Traditional Name: 3-hydroxy-5-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoic acid Formula: C11H13N3O4 MolecularWeight: 251.23862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN=C(N1)NC2=CC(=CC(=C2)C(=O)O)O)O

Isomeric SMILES

C1C(CN=C(N1)NC2=CC(=CC(=C2)C(=O)O)O)O

InChI

InChI=1S/C11H13N3O4/c15-8-2-6(10(17)18)1-7(3-8)14-11-12-4-9(16)5-13-11/h1-3,9,15-16H,4-5H2,(H,17,18)(H2,12,13,14)