4-[2-(5H-purin-6-ylamino)ethyl]benzenesulfonamide

Systemtic Name: 4-[2-(5H-purin-6-ylamino)ethyl]benzenesulfonamide Openeye Name: 4-[2-(5H-purin-6-ylamino)ethyl]benzenesulfonamide CAS Name: 4-[2-(5H-purin-6-ylamino)ethyl]benzenesulfonamide IUPAC Name: 4-[2-(5H-purin-6-ylamino)ethyl]benzenesulfonamide Traditional Name: 4-[2-(5H-purin-6-ylamino)ethyl]benzenesulfonamide Formula: C13H14N6O2S MolecularWeight: 318.35426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=NC=NC3=NC=NC32)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC2=NC=NC3=NC=NC32)S(=O)(=O)N

InChI

InChI=1S/C13H14N6O2S/c14-22(20,21)10-3-1-9(2-4-10)5-6-15-12-11-13(17-7-16-11)19-8-18-12/h1-4,7-8,11H,5-6H2,(H2,14,20,21)(H,15,16,17,18,19)