N-cyclopropyl-4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide

Systemtic Name: N-cyclopropyl-4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Openeye Name: N-cyclopropyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide CAS Name: N-cyclopropyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]benzenesulfonamide IUPAC Name: N-cyclopropyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Traditional Name: N-cyclopropyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Formula: C22H29N7O3S MolecularWeight: 471.57576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NC4CC4)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NC4CC4)NC5CCC(CC5)O

InChI

InChI=1S/C22H29N7O3S/c1-2-29-13-23-19-20(26-22(27-21(19)29)25-15-5-9-17(30)10-6-15)24-14-7-11-18(12-8-14)33(31,32)28-16-3-4-16/h7-8,11-13,15-17,28,30H,2-6,9-10H2,1H3,(H2,24,25,26,27)