N-(4-methylphenyl)-6-sulfanylidene-3H-purine-9-sulfonamide

Systemtic Name: N-(4-methylphenyl)-6-sulfanylidene-3H-purine-9-sulfonamide Openeye Name: N-(p-tolyl)-6-thioxo-3H-purine-9-sulfonamide CAS Name: N-(4-methylphenyl)-6-sulfanylidene-3H-purine-9-sulfonamide IUPAC Name: N-(4-methylphenyl)-6-sulfanylidene-3H-purine-9-sulfonamide Traditional Name: N-(p-tolyl)-6-thioxo-3H-purine-9-sulfonamide Formula: C12H11N5O2S2 MolecularWeight: 321.37804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NS(=O)(=O)N2C=NC3=C2NC=NC3=S

Isomeric SMILES

CC1=CC=C(C=C1)NS(=O)(=O)N2C=NC3=C2NC=NC3=S

InChI

InChI=1S/C12H11N5O2S2/c1-8-2-4-9(5-3-8)16-21(18,19)17-7-15-10-11(17)13-6-14-12(10)20/h2-7,16H,1H3,(H,13,14,20)