N-[4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]quinolin-3-yl]benzenesulfonamide

Systemtic Name: N-[4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]quinolin-3-yl]benzenesulfonamide Openeye Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-quinolyl]benzenesulfonamide CAS Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-3-quinolinyl]benzenesulfonamide IUPAC Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]quinolin-3-yl]benzenesulfonamide Traditional Name: N-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-quinolyl]benzenesulfonamide Formula: C28H30N8O3S MolecularWeight: 558.6546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=C(C=NC4=CC=CC=C43)NS(=O)(=O)C5=CC=CC=C5)NC6CCC(CC6)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=C(C=NC4=CC=CC=C43)NS(=O)(=O)C5=CC=CC=C5)NC6CCC(CC6)O

InChI

InChI=1S/C28H30N8O3S/c1-2-36-17-30-25-26(33-28(34-27(25)36)31-18-12-14-19(37)15-13-18)32-24-21-10-6-7-11-22(21)29-16-23(24)35-40(38,39)20-8-4-3-5-9-20/h3-11,16-19,35,37H,2,12-15H2,1H3,(H2,29,31,32,33,34)