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

Systemtic Name: 5-[2-[6-azanyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethylamino]-N-oxidanyl-pentanamide Openeye Name: 5-[2-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethylamino]pentanehydroxamic acid CAS Name: 5-[2-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-purinyl]ethylamino]-N-hydroxypentanamide IUPAC Name: 5-[2-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethylamino]-N-hydroxypentanamide Traditional Name: 5-[2-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]purin-9-yl]ethylamino]pentanehydroxamic acid Formula: C19H22IN7O4S MolecularWeight: 571.39195

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N3CCNCCCCC(=O)NO)N=CN=C4N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N3CCNCCCCC(=O)NO)N=CN=C4N

InChI

InChI=1S/C19H22IN7O4S/c20-11-7-12-13(31-10-30-12)8-14(11)32-19-25-16-17(21)23-9-24-18(16)27(19)6-5-22-4-2-1-3-15(28)26-29/h7-9,22,29H,1-6,10H2,(H,26,28)(H2,21,23,24)