1-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-8-phenyl-octane-1-sulfonamide

Systemtic Name: 1-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-8-phenyl-octane-1-sulfonamide Openeye Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-8-phenyl-octane-1-sulfonamide CAS Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-8-phenyl-1-octanesulfonamide IUPAC Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-8-phenyloctane-1-sulfonamide Traditional Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-8-phenyl-octane-1-sulfonamide Formula: C27H41N7O3S MolecularWeight: 543.72454

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC(CCCCCCCC3=CC=CC=C3)S(=O)(=O)N)NC4CCC(CC4)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC(CCCCCCCC3=CC=CC=C3)S(=O)(=O)N)NC4CCC(CC4)O

InChI

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