N-[2-(7H-purin-6-ylsulfanyl)ethyl]benzenesulfonamide

Systemtic Name: N-[2-(7H-purin-6-ylsulfanyl)ethyl]benzenesulfonamide Openeye Name: N-[2-(7H-purin-6-ylsulfanyl)ethyl]benzenesulfonamide CAS Name: N-[2-(7H-purin-6-ylthio)ethyl]benzenesulfonamide IUPAC Name: N-[2-(7H-purin-6-ylsulfanyl)ethyl]benzenesulfonamide Traditional Name: N-[2-(7H-purin-6-ylthio)ethyl]benzenesulfonamide Formula: C13H13N5O2S2 MolecularWeight: 335.40462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NCCSC2=NC=NC3=C2NC=N3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NCCSC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C13H13N5O2S2/c19-22(20,10-4-2-1-3-5-10)18-6-7-21-13-11-12(15-8-14-11)16-9-17-13/h1-5,8-9,18H,6-7H2,(H,14,15,16,17)