4-[(6-azanyl-5H-purin-8-yl)diazenyl]benzoic acid

Systemtic Name: 4-[(6-azanyl-5H-purin-8-yl)diazenyl]benzoic acid Openeye Name: 4-[(6-amino-5H-purin-8-yl)azo]benzoic acid CAS Name: 4-[(6-amino-5H-purin-8-yl)azo]benzoic acid IUPAC Name: 4-[(6-amino-5H-purin-8-yl)diazenyl]benzoic acid Traditional Name: 4-[(6-amino-5H-purin-8-yl)azo]benzoic acid Formula: C12H9N7O2 MolecularWeight: 283.24556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9N7O2/c13-9-8-10(15-5-14-9)17-12(16-8)19-18-7-3-1-6(2-4-7)11(20)21/h1-5,8H,(H,20,21)(H2,13,14,15,16,17)