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

Systemtic Name: 4-methyl-N-[4-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylphenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[4-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylphenyl]benzenesulfonamide CAS Name: 4-methyl-N-[4-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[4-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylphenyl]benzenesulfonamide Traditional Name: N-[4-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]phenyl]-4-methyl-benzenesulfonamide Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)SC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C21H21N5O4S2/c1-13-5-11-16(12-6-13)32(29,30)23-14-7-9-15(10-8-14)31-20-22-18-17(24(20)2)19(27)26(4)21(28)25(18)3/h5-12,23H,1-4H3