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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)NC5CCC(CC5)O

InChI

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