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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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