4-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]benzenesulfonamide

Systemtic Name: 4-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]benzenesulfonamide Openeye Name: 4-(3,7-dimethyl-2,6-dioxo-purin-8-yl)benzenesulfonamide CAS Name: 4-(3,7-dimethyl-2,6-dioxo-8-purinyl)benzenesulfonamide IUPAC Name: 4-(3,7-dimethyl-2,6-dioxopurin-8-yl)benzenesulfonamide Traditional Name: 4-(2,6-diketo-3,7-dimethyl-purin-8-yl)benzenesulfonamide Formula: C13H13N5O4S MolecularWeight: 335.33842

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1C3=CC=C(C=C3)S(=O)(=O)N)N(C(=O)NC2=O)C

Isomeric SMILES

CN1C2=C(N=C1C3=CC=C(C=C3)S(=O)(=O)N)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H13N5O4S/c1-17-9-11(18(2)13(20)16-12(9)19)15-10(17)7-3-5-8(6-4-7)23(14,21)22/h3-6H,1-2H3,(H2,14,21,22)(H,16,19,20)