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

Systemtic Name: N-[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-4-tert-butyl-benzenesulfonamide dihydrochloride Openeye Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-4-tert-butyl-benzenesulfonamide dihydrochloride CAS Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]-4-tert-butylbenzenesulfonamide dihydrochloride IUPAC Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]-4-tert-butylbenzenesulfonamide dihydrochloride Traditional Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]-4-tert-butyl-benzenesulfonamide dihydrochloride Formula: C26H39Cl2N7O2S MolecularWeight: 584.60456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.Cl.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N.Cl.Cl

InChI

InChI=1S/C26H37N7O2S.2ClH/c1-26(2,3)17-8-14-21(15-9-17)36(34,35)32-23-22-24(33(16-28-22)20-6-4-5-7-20)31-25(30-23)29-19-12-10-18(27)11-13-19;;/h8-9,14-16,18-20H,4-7,10-13,27H2,1-3H3,(H2,29,30,31,32);2*1H