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

Systemtic Name: 4-methoxy-N-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylphenyl]benzenesulfonamide Openeye Name: 4-methoxy-N-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylphenyl]benzenesulfonamide CAS Name: 4-methoxy-N-[2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]phenyl]benzenesulfonamide IUPAC Name: 4-methoxy-N-[2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylphenyl]benzenesulfonamide Traditional Name: N-[2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]phenyl]-4-methoxy-benzenesulfonamide Formula: C21H21N5O5S2 MolecularWeight: 487.55194

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1SC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1SC3=CC=CC=C3NS(=O)(=O)C4=CC=C(C=C4)OC)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C21H21N5O5S2/c1-24-17-18(25(2)21(28)26(3)19(17)27)22-20(24)32-16-8-6-5-7-15(16)23-33(29,30)14-11-9-13(31-4)10-12-14/h5-12,23H,1-4H3