4-[(2-azanyl-7H-purin-6-yl)sulfanyldiazenyl]benzenesulfonic acid

Systemtic Name: 4-[(2-azanyl-7H-purin-6-yl)sulfanyldiazenyl]benzenesulfonic acid Openeye Name: 4-[(2-amino-7H-purin-6-yl)sulfanylazo]benzenesulfonic acid CAS Name: 4-[(2-amino-7H-purin-6-yl)thio]azobenzenesulfonic acid IUPAC Name: 4-[(2-amino-7H-purin-6-yl)sulfanyldiazenyl]benzenesulfonic acid Traditional Name: 4-[(2-amino-7H-purin-6-yl)thio]azobesylic acid Formula: C11H9N7O3S2 MolecularWeight: 351.36426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=NSC2=NC(=NC3=C2NC=N3)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1N=NSC2=NC(=NC3=C2NC=N3)N)S(=O)(=O)O

InChI

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