4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzenesulfonamide dihydrochloride

Systemtic Name: 4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzenesulfonamide dihydrochloride Openeye Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzenesulfonamide dihydrochloride CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]benzenesulfonamide dihydrochloride IUPAC Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]benzenesulfonamide dihydrochloride Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]benzenesulfonamide dihydrochloride Formula: C22H32Cl2N8O2S MolecularWeight: 543.51288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)S(=O)(=O)N)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)S(=O)(=O)N)NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C22H30N8O2S.2ClH/c23-14-5-7-16(8-6-14)27-22-28-20(26-15-9-11-18(12-10-15)33(24,31)32)19-21(29-22)30(13-25-19)17-3-1-2-4-17;;/h9-14,16-17H,1-8,23H2,(H2,24,31,32)(H2,26,27,28,29);2*1H