N-[4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]octyl]benzenesulfonamide

Systemtic Name: N-[4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]octyl]benzenesulfonamide Openeye Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]octyl]benzenesulfonamide CAS Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]octyl]benzenesulfonamide IUPAC Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]octyl]benzenesulfonamide Traditional Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]octyl]benzenesulfonamide Formula: C27H41N7O3S MolecularWeight: 543.72454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCNS(=O)(=O)C1=CC=CC=C1)NC2=NC(=NC3=C2N=CN3CC)NC4CCC(CC4)O

Isomeric SMILES

CCCCC(CCCNS(=O)(=O)C1=CC=CC=C1)NC2=NC(=NC3=C2N=CN3CC)NC4CCC(CC4)O

InChI

InChI=1S/C27H41N7O3S/c1-3-5-10-20(11-9-18-29-38(36,37)23-12-7-6-8-13-23)30-25-24-26(34(4-2)19-28-24)33-27(32-25)31-21-14-16-22(35)17-15-21/h6-8,12-13,19-22,29,35H,3-5,9-11,14-18H2,1-2H3,(H2,30,31,32,33)