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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCN(C)S(=O)(=O)C1=CC=CC=C1)NC2=NC(=NC3=C2N=CN3CC)NC4CCC(CC4)O

Isomeric SMILES

CCCC(CCCN(C)S(=O)(=O)C1=CC=CC=C1)NC2=NC(=NC3=C2N=CN3CC)NC4CCC(CC4)O

InChI

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