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

Systemtic Name: 5-[6-azanyl-8-[(6-iodanyl-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]-N-oxidanyl-pentanamide Openeye Name: 5-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]pentanehydroxamic acid CAS Name: 5-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]-9-purinyl]-N-hydroxypentanamide IUPAC Name: 5-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]-N-hydroxypentanamide Traditional Name: 5-[6-amino-8-[(6-iodo-1,3-benzodioxol-5-yl)thio]purin-9-yl]pentanehydroxamic acid Formula: C17H17IN6O4S MolecularWeight: 528.32415

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N3CCCCC(=O)NO)N=CN=C4N

Isomeric SMILES

C1OC2=CC(=C(C=C2O1)I)SC3=NC4=C(N3CCCCC(=O)NO)N=CN=C4N

InChI

InChI=1S/C17H17IN6O4S/c18-9-5-10-11(28-8-27-10)6-12(9)29-17-22-14-15(19)20-7-21-16(14)24(17)4-2-1-3-13(25)23-26/h5-7,26H,1-4,8H2,(H,23,25)(H2,19,20,21)