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

Systemtic Name: 2-[2-[6-azanyl-8-[(6-bromanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethoxy]-N-oxidanyl-ethanamide Openeye Name: 2-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethoxy]ethanehydroxamic acid CAS Name: 2-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)thio]-9-purinyl]ethoxy]-N-hydroxyacetamide IUPAC Name: 2-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethoxy]-N-hydroxyacetamide Traditional Name: 2-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)thio]purin-9-yl]ethoxy]ethanehydroxamic acid Formula: C16H15BrN6O5S MolecularWeight: 483.2965

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N3CCOCC(=O)NO)N=CN=C4N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)Br)SC3=NC4=C(N3CCOCC(=O)NO)N=CN=C4N

InChI

InChI=1S/C16H15BrN6O5S/c17-8-3-9-10(28-7-27-9)4-11(8)29-16-21-13-14(18)19-6-20-15(13)23(16)1-2-26-5-12(24)22-25/h3-4,6,25H,1-2,5,7H2,(H,22,24)(H2,18,19,20)