4-methyl-N-[2-methyl-1-(7H-purin-6-ylsulfanyl)propan-2-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-methyl-1-(7H-purin-6-ylsulfanyl)propan-2-yl]benzenesulfonamide Openeye Name: N-[1,1-dimethyl-2-(7H-purin-6-ylsulfanyl)ethyl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[2-methyl-1-(7H-purin-6-ylthio)propan-2-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-methyl-1-(7H-purin-6-ylsulfanyl)propan-2-yl]benzenesulfonamide Traditional Name: N-[1,1-dimethyl-2-(7H-purin-6-ylthio)ethyl]-4-methyl-benzenesulfonamide Formula: C16H19N5O2S2 MolecularWeight: 377.48436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)CSC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)CSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C16H19N5O2S2/c1-11-4-6-12(7-5-11)25(22,23)21-16(2,3)8-24-15-13-14(18-9-17-13)19-10-20-15/h4-7,9-10,21H,8H2,1-3H3,(H,17,18,19,20)