8-[2-[6-azanyl-8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethylamino]-N-oxidanyl-octanamide

Systemtic Name: 8-[2-[6-azanyl-8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethylamino]-N-oxidanyl-octanamide Openeye Name: 8-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethylamino]octanehydroxamic acid CAS Name: 8-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-9-purinyl]ethylamino]-N-hydroxyoctanamide IUPAC Name: 8-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethylamino]-N-hydroxyoctanamide Traditional Name: 8-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)thio]purin-9-yl]ethylamino]octanehydroxamic acid Formula: C22H28BrN7O4S MolecularWeight: 566.47122

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N3CCNCCCCCCCC(=O)NO)N=CN=C4N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N3CCNCCCCCCCC(=O)NO)N=CN=C4N

InChI

InChI=1S/C22H28BrN7O4S/c23-14-10-15-16(34-13-33-15)11-17(14)35-22-28-19-20(24)26-12-27-21(19)30(22)9-8-25-7-5-3-1-2-4-6-18(31)29-32/h10-12,25,32H,1-9,13H2,(H,29,31)(H2,24,26,27)