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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N7O3S/c1-4-29-14-23-18-19(25-21(26-20(18)29)24-15-10-12-17(30)13-11-15)27-22(2,3)33(31,32)28-16-8-6-5-7-9-16/h5-9,14-15,17,28,30H,4,10-13H2,1-3H3,(H2,24,25,26,27)