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

Systemtic Name: 4-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide Openeye Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-N-isobutyl-benzenesulfonamide CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-6-purinyl]amino]-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-ethylpurin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-N-isobutyl-benzenesulfonamide Formula: C23H34N8O2S MolecularWeight: 486.63346

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NCC(C)C)NC4CCC(CC4)N

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NCC(C)C)NC4CCC(CC4)N

InChI

InChI=1S/C23H34N8O2S/c1-4-31-14-25-20-21(29-23(30-22(20)31)28-18-7-5-16(24)6-8-18)27-17-9-11-19(12-10-17)34(32,33)26-13-15(2)3/h9-12,14-16,18,26H,4-8,13,24H2,1-3H3,(H2,27,28,29,30)