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

Systemtic Name: 4-[(2-azanyl-6-oxidanylidene-3,5-dihydropurin-8-yl)diazenyl]benzoic acid Openeye Name: 4-[(2-amino-6-oxo-3,5-dihydropurin-8-yl)azo]benzoic acid CAS Name: 4-[(2-amino-6-oxo-3,5-dihydropurin-8-yl)azo]benzoic acid IUPAC Name: 4-[(2-amino-6-oxo-3,5-dihydropurin-8-yl)diazenyl]benzoic acid Traditional Name: 4-[(2-amino-6-keto-3,5-dihydropurin-8-yl)azo]benzoic acid Formula: C12H9N7O3 MolecularWeight: 299.24496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N=NC2=NC3C(=N2)NC(=NC3=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N=NC2=NC3C(=N2)NC(=NC3=O)N

InChI

InChI=1S/C12H9N7O3/c13-11-15-8-7(9(20)17-11)14-12(16-8)19-18-6-3-1-5(2-4-6)10(21)22/h1-4,7H,(H,21,22)(H3,13,14,15,16,17,20)