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

Systemtic Name: 4-[4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]phenyl]-N-phenyl-morpholin-4-ium-4-sulfonamide Openeye Name: 4-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-N-phenyl-morpholin-4-ium-4-sulfonamide CAS Name: 4-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]phenyl]-N-phenyl-4-morpholin-4-iumsulfonamide IUPAC Name: 4-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-N-phenylmorpholin-4-ium-4-sulfonamide Traditional Name: 4-[4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-N-phenyl-morpholin-4-ium-4-sulfonamide Formula: C29H37N8O4S+ MolecularWeight: 593.72028

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)[N+]4(CCOCC4)S(=O)(=O)NC5=CC=CC=C5)NC6CCC(CC6)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)[N+]4(CCOCC4)S(=O)(=O)NC5=CC=CC=C5)NC6CCC(CC6)O

InChI

InChI=1S/C29H37N8O4S/c1-2-36-20-30-26-27(33-29(34-28(26)36)32-22-10-14-25(38)15-11-22)31-21-8-12-24(13-9-21)37(16-18-41-19-17-37)42(39,40)35-23-6-4-3-5-7-23/h3-9,12-13,20,22,25,35,38H,2,10-11,14-19H2,1H3,(H2,31,32,33,34)/q+1