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

Systemtic Name: N,N-dibutyl-4-[[9-ethyl-2-[(4-oxidanylcyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Openeye Name: N,N-dibutyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide CAS Name: N,N-dibutyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]-6-purinyl]amino]benzenesulfonamide IUPAC Name: N,N-dibutyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Traditional Name: N,N-dibutyl-4-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]benzenesulfonamide Formula: C27H41N7O3S MolecularWeight: 543.72454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N7O3S/c1-4-7-17-34(18-8-5-2)38(36,37)23-15-11-20(12-16-23)29-25-24-26(33(6-3)19-28-24)32-27(31-25)30-21-9-13-22(35)14-10-21/h11-12,15-16,19,21-22,35H,4-10,13-14,17-18H2,1-3H3,(H2,29,30,31,32)