4-[(6-methylsulfanylpurin-9-yl)methyl]benzenesulfonamide

Systemtic Name: 4-[(6-methylsulfanylpurin-9-yl)methyl]benzenesulfonamide Openeye Name: 4-[(6-methylsulfanylpurin-9-yl)methyl]benzenesulfonamide CAS Name: 4-[[6-(methylthio)-9-purinyl]methyl]benzenesulfonamide IUPAC Name: 4-[(6-methylsulfanylpurin-9-yl)methyl]benzenesulfonamide Traditional Name: 4-[[6-(methylthio)purin-9-yl]methyl]benzenesulfonamide Formula: C13H13N5O2S2 MolecularWeight: 335.40462

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CSC1=NC=NC2=C1N=CN2CC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C13H13N5O2S2/c1-21-13-11-12(15-7-16-13)18(8-17-11)6-9-2-4-10(5-3-9)22(14,19)20/h2-5,7-8H,6H2,1H3,(H2,14,19,20)