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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NC4CCCCC4)NC5CCC(CC5)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NC4CCCCC4)NC5CCC(CC5)N

InChI

InChI=1S/C25H36N8O2S/c1-2-33-16-27-22-23(30-25(31-24(22)33)29-19-10-8-17(26)9-11-19)28-18-12-14-21(15-13-18)36(34,35)32-20-6-4-3-5-7-20/h12-17,19-20,32H,2-11,26H2,1H3,(H2,28,29,30,31)