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

Systemtic Name: 4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]-N-(3-methylbutyl)benzenesulfonamide Openeye Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-isopentyl-benzenesulfonamide CAS Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]-N-(3-methylbutyl)benzenesulfonamide IUPAC Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-(3-methylbutyl)benzenesulfonamide Traditional Name: 4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]-N-isoamyl-benzenesulfonamide Formula: C24H35N7O3S MolecularWeight: 501.6448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H35N7O3S/c1-4-31-15-25-21-22(29-24(30-23(21)31)28-18-5-9-19(32)10-6-18)27-17-7-11-20(12-8-17)35(33,34)26-14-13-16(2)3/h7-8,11-12,15-16,18-19,26,32H,4-6,9-10,13-14H2,1-3H3,(H2,27,28,29,30)