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

Systemtic Name: N-butyl-4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Openeye Name: N-butyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide CAS Name: N-butyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]benzenesulfonamide IUPAC Name: N-butyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Traditional Name: N-butyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Formula: C23H33N7O3S MolecularWeight: 487.61822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N7O3S/c1-3-5-14-25-34(32,33)19-12-8-16(9-13-19)26-21-20-22(30(4-2)15-24-20)29-23(28-21)27-17-6-10-18(31)11-7-17/h8-9,12-13,15,17-18,25,31H,3-7,10-11,14H2,1-2H3,(H2,26,27,28,29)