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

Systemtic Name: N-[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]benzenesulfonamide dihydrochloride Openeye Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]benzenesulfonamide dihydrochloride CAS Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]benzenesulfonamide dihydrochloride IUPAC Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]benzenesulfonamide dihydrochloride Traditional Name: N-[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]benzenesulfonamide dihydrochloride Formula: C22H31Cl2N7O2S MolecularWeight: 528.49824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N7O2S.2ClH/c23-15-10-12-16(13-11-15)25-22-26-20(28-32(30,31)18-8-2-1-3-9-18)19-21(27-22)29(14-24-19)17-6-4-5-7-17;;/h1-3,8-9,14-17H,4-7,10-13,23H2,(H2,25,26,27,28);2*1H