4-[2-(2-azanyl-6-sulfanylidene-purin-8-yl)hydrazinyl]-N-pyridin-2-yl-benzenesulfonamide

Systemtic Name: 4-[2-(2-azanyl-6-sulfanylidene-purin-8-yl)hydrazinyl]-N-pyridin-2-yl-benzenesulfonamide Openeye Name: 4-[2-(2-amino-6-thioxo-purin-8-yl)hydrazino]-N-(2-pyridyl)benzenesulfonamide CAS Name: 4-[(2-amino-6-sulfanylidene-8-purinyl)hydrazo]-N-(2-pyridinyl)benzenesulfonamide IUPAC Name: 4-[2-(2-amino-6-sulfanylidenepurin-8-yl)hydrazinyl]-N-pyridin-2-ylbenzenesulfonamide Traditional Name: 4-[N'-(2-amino-6-thioxo-purin-8-yl)hydrazino]-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)NNC3=NC4=NC(=NC(=S)C4=N3)N

Isomeric SMILES

C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=NC4=NC(=NC(=S)C4=N3)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/h1-8,23H,(H,18,25)(H3,17,20,21,22,24,28)