2-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-phenyl-4H-quinoline-1-sulfonamide

Systemtic Name: 2-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-phenyl-4H-quinoline-1-sulfonamide Openeye Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-phenyl-4H-quinoline-1-sulfonamide CAS Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-phenyl-4H-quinoline-1-sulfonamide IUPAC Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-phenyl-4H-quinoline-1-sulfonamide Traditional Name: 2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-phenyl-4H-quinoline-1-sulfonamide Formula: C28H32N8O3S MolecularWeight: 560.67048

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CCC4=CC=CC=C4N3S(=O)(=O)NC5=CC=CC=C5)NC6CCC(CC6)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CCC4=CC=CC=C4N3S(=O)(=O)NC5=CC=CC=C5)NC6CCC(CC6)O

InChI

InChI=1S/C28H32N8O3S/c1-2-35-18-29-25-26(32-28(33-27(25)35)30-20-13-15-22(37)16-14-20)31-24-17-12-19-8-6-7-11-23(19)36(24)40(38,39)34-21-9-4-3-5-10-21/h3-11,17-18,20,22,34,37H,2,12-16H2,1H3,(H2,30,31,32,33)