N-[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-3-bromanyl-benzenesulfonamide dihydrochloride

Systemtic Name: N-[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-3-bromanyl-benzenesulfonamide dihydrochloride Openeye Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-3-bromo-benzenesulfonamide dihydrochloride CAS Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]-3-bromobenzenesulfonamide dihydrochloride IUPAC Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]-3-bromobenzenesulfonamide dihydrochloride Traditional Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-3-bromo-benzenesulfonamide dihydrochloride Formula: C22H30BrCl2N7O2S MolecularWeight: 607.3943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NS(=O)(=O)C4=CC(=CC=C4)Br)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NS(=O)(=O)C4=CC(=CC=C4)Br)NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C22H28BrN7O2S.2ClH/c23-14-4-3-7-18(12-14)33(31,32)29-20-19-21(30(13-25-19)17-5-1-2-6-17)28-22(27-20)26-16-10-8-15(24)9-11-16;;/h3-4,7,12-13,15-17H,1-2,5-6,8-11,24H2,(H2,26,27,28,29);2*1H