6-[6-azanyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]-N-oxidanyl-hexanamide

Systemtic Name: 6-[6-azanyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]-N-oxidanyl-hexanamide Openeye Name: 6-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]hexanehydroxamic acid CAS Name: 6-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-purinyl]-N-hydroxyhexanamide IUPAC Name: 6-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]-N-hydroxyhexanamide Traditional Name: 6-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]purin-9-yl]hexanehydroxamic acid Formula: C18H19IN6O4S MolecularWeight: 542.35073

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N3CCCCCC(=O)NO)N=CN=C4N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N3CCCCCC(=O)NO)N=CN=C4N

InChI

InChI=1S/C18H19IN6O4S/c19-10-6-11-12(29-9-28-11)7-13(10)30-18-23-15-16(20)21-8-22-17(15)25(18)5-3-1-2-4-14(26)24-27/h6-8,27H,1-5,9H2,(H,24,26)(H2,20,21,22)