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

Systemtic Name: 4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N,N-dimethyl-benzenesulfonamide Openeye Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N,N-dimethyl-benzenesulfonamide CAS Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N,N-dimethylbenzenesulfonamide IUPAC Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N,N-dimethylbenzenesulfonamide Traditional Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N,N-dimethyl-benzenesulfonamide Formula: C21H29N7O3S MolecularWeight: 459.56506

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N(C)C)NC4CCC(CC4)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)N(C)C)NC4CCC(CC4)O

InChI

InChI=1S/C21H29N7O3S/c1-4-28-13-22-18-19(23-14-7-11-17(12-8-14)32(30,31)27(2)3)25-21(26-20(18)28)24-15-5-9-16(29)10-6-15/h7-8,11-13,15-16,29H,4-6,9-10H2,1-3H3,(H2,23,24,25,26)