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

Systemtic Name: 2-[2-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]ethyl]-N-phenyl-pyridin-1-ium-1-sulfonamide Openeye Name: 2-[2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]ethyl]-N-phenyl-pyridin-1-ium-1-sulfonamide CAS Name: 2-[2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]ethyl]-N-phenyl-1-pyridin-1-iumsulfonamide IUPAC Name: 2-[2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]ethyl]-N-phenylpyridin-1-ium-1-sulfonamide Traditional Name: 2-[2-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]ethyl]-N-phenyl-pyridin-1-ium-1-sulfonamide Formula: C26H33N8O3S+ MolecularWeight: 537.65702

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NCCC3=CC=CC=[N+]3S(=O)(=O)NC4=CC=CC=C4)NC5CCC(CC5)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NCCC3=CC=CC=[N+]3S(=O)(=O)NC4=CC=CC=C4)NC5CCC(CC5)O

InChI

InChI=1S/C26H33N8O3S/c1-2-33-18-28-23-24(30-26(31-25(23)33)29-19-11-13-22(35)14-12-19)27-16-15-21-10-6-7-17-34(21)38(36,37)32-20-8-4-3-5-9-20/h3-10,17-19,22,32,35H,2,11-16H2,1H3,(H2,27,29,30,31)/q+1