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

Systemtic Name: 4-[2-(2-azanyl-6-sulfanylidene-purin-8-yl)hydrazinyl]-N-pyrimidin-2-yl-benzenesulfonamide Openeye Name: 4-[2-(2-amino-6-thioxo-purin-8-yl)hydrazino]-N-pyrimidin-2-yl-benzenesulfonamide CAS Name: 4-[(2-amino-6-sulfanylidene-8-purinyl)hydrazo]-N-(2-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-[2-(2-amino-6-sulfanylidenepurin-8-yl)hydrazinyl]-N-pyrimidin-2-ylbenzenesulfonamide Traditional Name: 4-[N'-(2-amino-6-thioxo-purin-8-yl)hydrazino]-N-(2-pyrimidyl)benzenesulfonamide Formula: C15H12N10O2S2 MolecularWeight: 428.45158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=NC4=NC(=NC(=S)C4=N3)N

Isomeric SMILES

C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=NC4=NC(=NC(=S)C4=N3)N

InChI

InChI=1S/C15H12N10O2S2/c16-13-20-11-10(12(28)22-13)19-15(21-11)24-23-8-2-4-9(5-3-8)29(26,27)25-14-17-6-1-7-18-14/h1-7,23H,(H,17,18,25)(H3,16,20,21,22,24,28)