3-[[6-(3-bicyclo[2.2.1]heptanylamino)-7H-purin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[6-(3-bicyclo[2.2.1]heptanylamino)-7H-purin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[6-(norbornan-2-ylamino)-7H-purin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[6-(3-bicyclo[2.2.1]heptanylamino)-7H-purin-2-yl]amino]benzenesulfonamide IUPAC Name: 3-[[6-(3-bicyclo[2.2.1]heptanylamino)-7H-purin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[6-(2-norbornylamino)-7H-purin-2-yl]amino]benzenesulfonamide Formula: C18H21N7O2S MolecularWeight: 399.47004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CC1CC2NC3=NC(=NC4=C3NC=N4)NC5=CC(=CC=C5)S(=O)(=O)N

Isomeric SMILES

C1CC2CC1CC2NC3=NC(=NC4=C3NC=N4)NC5=CC(=CC=C5)S(=O)(=O)N

InChI

InChI=1S/C18H21N7O2S/c19-28(26,27)13-3-1-2-12(8-13)22-18-24-16-15(20-9-21-16)17(25-18)23-14-7-10-4-5-11(14)6-10/h1-3,8-11,14H,4-7H2,(H2,19,26,27)(H3,20,21,22,23,24,25)