7-[6-azanyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]-N-oxidanyl-heptanamide

Systemtic Name: 7-[6-azanyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]-N-oxidanyl-heptanamide Openeye Name: 7-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]heptanehydroxamic acid CAS Name: 7-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-purinyl]-N-hydroxyheptanamide IUPAC Name: 7-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]-N-hydroxyheptanamide Traditional Name: 7-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]purin-9-yl]heptanehydroxamic acid Formula: C19H21IN6O4S MolecularWeight: 556.37731

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N3CCCCCCC(=O)NO)N=CN=C4N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N3CCCCCCC(=O)NO)N=CN=C4N

InChI

InChI=1S/C19H21IN6O4S/c20-11-7-12-13(30-10-29-12)8-14(11)31-19-24-16-17(21)22-9-23-18(16)26(19)6-4-2-1-3-5-15(27)25-28/h7-9,28H,1-6,10H2,(H,25,27)(H2,21,22,23)