N-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethyl]benzenesulfonamide

Systemtic Name: N-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethyl]benzenesulfonamide Openeye Name: N-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylethyl]benzenesulfonamide CAS Name: N-[2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]ethyl]benzenesulfonamide IUPAC Name: N-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylethyl]benzenesulfonamide Traditional Name: N-[2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]ethyl]benzenesulfonamide Formula: C16H19N5O4S2 MolecularWeight: 409.48316

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SCCNS(=O)(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SCCNS(=O)(=O)C3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H19N5O4S2/c1-19-12-13(20(2)16(23)21(3)14(12)22)18-15(19)26-10-9-17-27(24,25)11-7-5-4-6-8-11/h4-8,17H,9-10H2,1-3H3