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

Systemtic Name: 2-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-phenyl-benzenesulfonamide Openeye Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-phenyl-benzenesulfonamide CAS Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-phenylbenzenesulfonamide IUPAC Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-phenylbenzenesulfonamide Traditional Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-phenyl-benzenesulfonamide Formula: C25H29N7O3S MolecularWeight: 507.60786

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC=C3S(=O)(=O)NC4=CC=CC=C4)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=CC=C3S(=O)(=O)NC4=CC=CC=C4)NC5CCC(CC5)O

InChI

InChI=1S/C25H29N7O3S/c1-2-32-16-26-22-23(29-25(30-24(22)32)27-17-12-14-19(33)15-13-17)28-20-10-6-7-11-21(20)36(34,35)31-18-8-4-3-5-9-18/h3-11,16-17,19,31,33H,2,12-15H2,1H3,(H2,27,28,29,30)