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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CC)NC4CCC(CC4)O

Isomeric SMILES

CCCCN(C)S(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3CC)NC4CCC(CC4)O

InChI

InChI=1S/C24H35N7O3S/c1-4-6-15-30(3)35(33,34)20-13-9-17(10-14-20)26-22-21-23(31(5-2)16-25-21)29-24(28-22)27-18-7-11-19(32)12-8-18/h9-10,13-14,16,18-19,32H,4-8,11-12,15H2,1-3H3,(H2,26,27,28,29)