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

Systemtic Name: 1-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-3-phenyl-propane-1-sulfonamide Openeye Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-phenyl-propane-1-sulfonamide CAS Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-3-phenyl-1-propanesulfonamide IUPAC Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-phenylpropane-1-sulfonamide Traditional Name: 1-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-3-phenyl-propane-1-sulfonamide Formula: C22H31N7O3S MolecularWeight: 473.59164

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC(CCC3=CC=CC=C3)S(=O)(=O)N)NC4CCC(CC4)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC(CCC3=CC=CC=C3)S(=O)(=O)N)NC4CCC(CC4)O

InChI

InChI=1S/C22H31N7O3S/c1-2-29-14-24-19-20(26-18(33(23,31)32)13-8-15-6-4-3-5-7-15)27-22(28-21(19)29)25-16-9-11-17(30)12-10-16/h3-7,14,16-18,30H,2,8-13H2,1H3,(H2,23,31,32)(H2,25,26,27,28)