4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide

Systemtic Name: 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide Openeye Name: 4-[(6-thioxo-3H-purin-9-yl)methyl]benzenesulfonamide CAS Name: 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide IUPAC Name: 4-[(6-sulfanylidene-3H-purin-9-yl)methyl]benzenesulfonamide Traditional Name: 4-[(6-thioxo-3H-purin-9-yl)methyl]benzenesulfonamide Formula: C12H11N5O2S2 MolecularWeight: 321.37804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2NC=NC3=S)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2NC=NC3=S)S(=O)(=O)N

InChI

InChI=1S/C12H11N5O2S2/c13-21(18,19)9-3-1-8(2-4-9)5-17-7-16-10-11(17)14-6-15-12(10)20/h1-4,6-7H,5H2,(H2,13,18,19)(H,14,15,20)