4-[2-[6-azanyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethylamino]-N-oxidanyl-butanamide

Systemtic Name: 4-[2-[6-azanyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethylamino]-N-oxidanyl-butanamide Openeye Name: 4-[2-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethylamino]butanehydroxamic acid CAS Name: 4-[2-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-purinyl]ethylamino]-N-hydroxybutanamide IUPAC Name: 4-[2-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethylamino]-N-hydroxybutanamide Traditional Name: 4-[2-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]purin-9-yl]ethylamino]butanehydroxamic acid Formula: C18H20IN7O4S MolecularWeight: 557.36537

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N3CCNCCCC(=O)NO)N=CN=C4N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N3CCNCCCC(=O)NO)N=CN=C4N

InChI

InChI=1S/C18H20IN7O4S/c19-10-6-11-12(30-9-29-11)7-13(10)31-18-24-15-16(20)22-8-23-17(15)26(18)5-4-21-3-1-2-14(27)25-28/h6-8,21,28H,1-5,9H2,(H,25,27)(H2,20,22,23)