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

Systemtic Name: 4-ethyl-N-[2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylphenyl]benzenesulfonamide Openeye Name: 4-ethyl-N-[2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanylphenyl]benzenesulfonamide CAS Name: 4-ethyl-N-[2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]phenyl]benzenesulfonamide IUPAC Name: 4-ethyl-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-ethyl-benzenesulfonamide Formula: C22H23N5O4S2 MolecularWeight: 485.57912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C22H23N5O4S2/c1-5-14-10-12-15(13-11-14)33(30,31)24-16-8-6-7-9-17(16)32-21-23-19-18(25(21)2)20(28)27(4)22(29)26(19)3/h6-13,24H,5H2,1-4H3