4-[(2-azanyl-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]-N-pyridin-2-yl-benzenesulfonamide

Systemtic Name: 4-[(2-azanyl-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]-N-pyridin-2-yl-benzenesulfonamide Openeye Name: 4-[(2-amino-6-thioxo-3,5-dihydropurin-8-yl)azo]-N-(2-pyridyl)benzenesulfonamide CAS Name: 4-[(2-amino-6-sulfanylidene-3,5-dihydropurin-8-yl)azo]-N-(2-pyridinyl)benzenesulfonamide IUPAC Name: 4-[(2-amino-6-sulfanylidene-3,5-dihydropurin-8-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide Traditional Name: 4-[(2-amino-6-thioxo-3,5-dihydropurin-8-yl)azo]-N-(2-pyridyl)benzenesulfonamide Formula: C16H13N9O2S2 MolecularWeight: 427.46352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=NC4C(=N3)NC(=NC4=S)N

Isomeric SMILES

C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=NC4C(=N3)NC(=NC4=S)N

InChI

InChI=1S/C16H13N9O2S2/c17-15-20-13-12(14(28)22-15)19-16(21-13)24-23-9-4-6-10(7-5-9)29(26,27)25-11-3-1-2-8-18-11/h1-8,12H,(H,18,25)(H3,17,19,20,21,22,28)