4-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-N-(3-methylbutyl)benzenesulfonamide

Systemtic Name: 4-[[2-[(4-azanylcyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-N-(3-methylbutyl)benzenesulfonamide Openeye Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-N-isopentyl-benzenesulfonamide CAS Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-6-purinyl]amino]-N-(3-methylbutyl)benzenesulfonamide IUPAC Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-ethylpurin-6-yl]amino]-N-(3-methylbutyl)benzenesulfonamide Traditional Name: 4-[[2-[(4-aminocyclohexyl)amino]-9-ethyl-purin-6-yl]amino]-N-isoamyl-benzenesulfonamide Formula: C24H36N8O2S MolecularWeight: 500.66004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N8O2S/c1-4-32-15-26-21-22(30-24(31-23(21)32)29-19-7-5-17(25)6-8-19)28-18-9-11-20(12-10-18)35(33,34)27-14-13-16(2)3/h9-12,15-17,19,27H,4-8,13-14,25H2,1-3H3,(H2,28,29,30,31)