N-(2-nitrophenyl)-6-sulfanylidene-3H-purine-9-sulfonamide

Systemtic Name: N-(2-nitrophenyl)-6-sulfanylidene-3H-purine-9-sulfonamide Openeye Name: N-(2-nitrophenyl)-6-thioxo-3H-purine-9-sulfonamide CAS Name: N-(2-nitrophenyl)-6-sulfanylidene-3H-purine-9-sulfonamide IUPAC Name: N-(2-nitrophenyl)-6-sulfanylidene-3H-purine-9-sulfonamide Traditional Name: N-(2-nitrophenyl)-6-thioxo-3H-purine-9-sulfonamide Formula: C11H8N6O4S2 MolecularWeight: 352.34902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NS(=O)(=O)N2C=NC3=C2NC=NC3=S)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NS(=O)(=O)N2C=NC3=C2NC=NC3=S)[N+](=O)[O-]

InChI

InChI=1S/C11H8N6O4S2/c18-17(19)8-4-2-1-3-7(8)15-23(20,21)16-6-14-9-10(16)12-5-13-11(9)22/h1-6,15H,(H,12,13,22)