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

Systemtic Name: N-[2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-chloro-benzenesulfonamide CAS Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]ethyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]ethyl]-4-chlorobenzenesulfonamide Traditional Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-chloro-benzenesulfonamide Formula: C24H33ClN8O2S MolecularWeight: 533.08922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNS(=O)(=O)C4=CC=C(C=C4)Cl)NC5CCC(CC5)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NCCNS(=O)(=O)C4=CC=C(C=C4)Cl)NC5CCC(CC5)N

InChI

InChI=1S/C24H33ClN8O2S/c25-16-5-11-20(12-6-16)36(34,35)29-14-13-27-22-21-23(33(15-28-21)19-3-1-2-4-19)32-24(31-22)30-18-9-7-17(26)8-10-18/h5-6,11-12,15,17-19,29H,1-4,7-10,13-14,26H2,(H2,27,30,31,32)