4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-(3-oxidanylpropyl)benzenesulfonamide

Systemtic Name: 4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-(3-oxidanylpropyl)benzenesulfonamide Openeye Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(3-hydroxypropyl)benzenesulfonamide CAS Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-(3-hydroxypropyl)benzenesulfonamide IUPAC Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(3-hydroxypropyl)benzenesulfonamide Traditional Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(3-hydroxypropyl)benzenesulfonamide Formula: C22H31N7O4S MolecularWeight: 489.59104

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NCCCO)NC4CCC(CC4)O

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)S(=O)(=O)NCCCO)NC4CCC(CC4)O

InChI

InChI=1S/C22H31N7O4S/c1-2-29-14-23-19-20(27-22(28-21(19)29)26-16-4-8-17(31)9-5-16)25-15-6-10-18(11-7-15)34(32,33)24-12-3-13-30/h6-7,10-11,14,16-17,24,30-31H,2-5,8-9,12-13H2,1H3,(H2,25,26,27,28)