1-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-3-oxidanyl-N-phenyl-propane-1-sulfonamide

Systemtic Name: 1-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-3-oxidanyl-N-phenyl-propane-1-sulfonamide Openeye Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-hydroxy-N-phenyl-propane-1-sulfonamide CAS Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-3-hydroxy-N-phenyl-1-propanesulfonamide IUPAC Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-hydroxy-N-phenylpropane-1-sulfonamide Traditional Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-hydroxy-N-phenyl-propane-1-sulfonamide Formula: C22H31N7O4S MolecularWeight: 489.59104

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC(CCO)S(=O)(=O)NC3=CC=CC=C3)NC4CCC(CC4)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC(CCO)S(=O)(=O)NC3=CC=CC=C3)NC4CCC(CC4)O

InChI

InChI=1S/C22H31N7O4S/c1-2-29-14-23-19-20(26-22(27-21(19)29)24-15-8-10-17(31)11-9-15)25-18(12-13-30)34(32,33)28-16-6-4-3-5-7-16/h3-7,14-15,17-18,28,30-31H,2,8-13H2,1H3,(H2,24,25,26,27)