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

Systemtic Name: 4-[(2-azanyl-6-oxidanylidene-3,5-dihydropurin-8-yl)diazenyl]benzenesulfonic acid Openeye Name: 4-[(2-amino-6-oxo-3,5-dihydropurin-8-yl)azo]benzenesulfonic acid CAS Name: 4-[(2-amino-6-oxo-3,5-dihydropurin-8-yl)azo]benzenesulfonic acid IUPAC Name: 4-[(2-amino-6-oxo-3,5-dihydropurin-8-yl)diazenyl]benzenesulfonic acid Traditional Name: 4-[(2-amino-6-keto-3,5-dihydropurin-8-yl)azo]besylic acid Formula: C11H9N7O4S MolecularWeight: 335.29866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N7O4S/c12-10-14-8-7(9(19)16-10)13-11(15-8)18-17-5-1-3-6(4-2-5)23(20,21)22/h1-4,7H,(H,20,21,22)(H3,12,13,14,15,16,19)