4-[[(2-chloranyl-7H-purin-6-yl)amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[(2-chloranyl-7H-purin-6-yl)amino]methyl]benzenesulfonamide Openeye Name: 4-[[(2-chloro-7H-purin-6-yl)amino]methyl]benzenesulfonamide CAS Name: 4-[[(2-chloro-7H-purin-6-yl)amino]methyl]benzenesulfonamide IUPAC Name: 4-[[(2-chloro-7H-purin-6-yl)amino]methyl]benzenesulfonamide Traditional Name: 4-[[(2-chloro-7H-purin-6-yl)amino]methyl]benzenesulfonamide Formula: C12H11ClN6O2S MolecularWeight: 338.77274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NC(=NC3=C2NC=N3)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC2=NC(=NC3=C2NC=N3)Cl)S(=O)(=O)N

InChI

InChI=1S/C12H11ClN6O2S/c13-12-18-10(9-11(19-12)17-6-16-9)15-5-7-1-3-8(4-2-7)22(14,20)21/h1-4,6H,5H2,(H2,14,20,21)(H2,15,16,17,18,19)