4-[(2-azanyl-6-oxidanylidene-3,5-dihydropurin-8-yl)diazenyl]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[(2-azanyl-6-oxidanylidene-3,5-dihydropurin-8-yl)diazenyl]-2-oxidanyl-benzoic acid Openeye Name: 4-[(2-amino-6-oxo-3,5-dihydropurin-8-yl)azo]-2-hydroxy-benzoic acid CAS Name: 4-[(2-amino-6-oxo-3,5-dihydropurin-8-yl)azo]-2-hydroxybenzoic acid IUPAC Name: 4-[(2-amino-6-oxo-3,5-dihydropurin-8-yl)diazenyl]-2-hydroxybenzoic acid Traditional Name: 4-[(2-amino-6-keto-3,5-dihydropurin-8-yl)azo]-2-hydroxy-benzoic acid Formula: C12H9N7O4 MolecularWeight: 315.24436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=NC2=NC3C(=N2)NC(=NC3=O)N)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N=NC2=NC3C(=N2)NC(=NC3=O)N)O)C(=O)O

InChI

InChI=1S/C12H9N7O4/c13-11-15-8-7(9(21)17-11)14-12(16-8)19-18-4-1-2-5(10(22)23)6(20)3-4/h1-3,7,20H,(H,22,23)(H3,13,14,15,16,17,21)