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

Systemtic Name: [[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-phenyl-methanesulfonamide Openeye Name: [[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-phenyl-methanesulfonamide CAS Name: [[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-phenylmethanesulfonamide IUPAC Name: [[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-phenylmethanesulfonamide Traditional Name: [[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-phenyl-methanesulfonamide Formula: C20H27N7O3S MolecularWeight: 445.53848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N7O3S/c1-2-27-12-22-16-17(24-19(31(21,29)30)13-6-4-3-5-7-13)25-20(26-18(16)27)23-14-8-10-15(28)11-9-14/h3-7,12,14-15,19,28H,2,8-11H2,1H3,(H2,21,29,30)(H2,23,24,25,26)