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

Systemtic Name: 4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide Openeye Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-isobutyl-benzenesulfonamide CAS Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-(2-methylpropyl)benzenesulfonamide IUPAC Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(2-methylpropyl)benzenesulfonamide Traditional Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-isobutyl-benzenesulfonamide Formula: C23H33N7O3S MolecularWeight: 487.61822

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)NCC(C)C)NC4CCC(CC4)O

Isomeric SMILES

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

InChI

InChI=1S/C23H33N7O3S/c1-4-30-14-24-20-21(28-23(29-22(20)30)27-17-5-9-18(31)10-6-17)26-16-7-11-19(12-8-16)34(32,33)25-13-15(2)3/h7-8,11-12,14-15,17-18,25,31H,4-6,9-10,13H2,1-3H3,(H2,26,27,28,29)