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

Systemtic Name: N-[2-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]ethyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]ethyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]ethyl]-4-methyl-benzenesulfonamide Formula: C25H36N8O2S MolecularWeight: 512.67074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC(=NC3=C2N=CN3C4CCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C25H36N8O2S/c1-17-6-12-21(13-7-17)36(34,35)29-15-14-27-23-22-24(33(16-28-22)20-4-2-3-5-20)32-25(31-23)30-19-10-8-18(26)9-11-19/h6-7,12-13,16,18-20,29H,2-5,8-11,14-15,26H2,1H3,(H2,27,30,31,32)