N-[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]-N-(4-methylphenyl)piperazine-1-sulfonamide

Systemtic Name: N-[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]-N-(4-methylphenyl)piperazine-1-sulfonamide Openeye Name: N-[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]-N-(p-tolyl)piperazine-1-sulfonamide CAS Name: N-[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]-N-(4-methylphenyl)-1-piperazinesulfonamide IUPAC Name: N-[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]-N-(4-methylphenyl)piperazine-1-sulfonamide Traditional Name: N-[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]-N-(p-tolyl)piperazine-1-sulfonamide Formula: C24H34N8O3S MolecularWeight: 514.64356

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2N(C3=CC=C(C=C3)C)S(=O)(=O)N4CCNCC4)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2N(C3=CC=C(C=C3)C)S(=O)(=O)N4CCNCC4)NC5CCC(CC5)O

InChI

InChI=1S/C24H34N8O3S/c1-3-30-16-26-21-22(30)28-24(27-18-6-10-20(33)11-7-18)29-23(21)32(19-8-4-17(2)5-9-19)36(34,35)31-14-12-25-13-15-31/h4-5,8-9,16,18,20,25,33H,3,6-7,10-15H2,1-2H3,(H,27,28,29)