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

Systemtic Name: 4-[(2-azanyl-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]benzenesulfonic acid Openeye Name: 4-[(2-amino-6-thioxo-3,5-dihydropurin-8-yl)azo]benzenesulfonic acid CAS Name: 4-[(2-amino-6-sulfanylidene-3,5-dihydropurin-8-yl)azo]benzenesulfonic acid IUPAC Name: 4-[(2-amino-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]benzenesulfonic acid Traditional Name: 4-[(2-amino-6-thioxo-3,5-dihydropurin-8-yl)azo]besylic acid Formula: C11H9N7O3S2 MolecularWeight: 351.36426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H9N7O3S2/c12-10-14-8-7(9(22)16-10)13-11(15-8)18-17-5-1-3-6(4-2-5)23(19,20)21/h1-4,7H,(H,19,20,21)(H3,12,13,14,15,16,22)