6-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]-N-oxidanyl-hexanamide

Systemtic Name: 6-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]-N-oxidanyl-hexanamide Openeye Name: 6-[6-amino-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-9-yl]hexanehydroxamic acid CAS Name: 6-[6-amino-8-[(2-iodo-5-methoxyphenyl)thio]-9-purinyl]-N-hydroxyhexanamide IUPAC Name: 6-[6-amino-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-9-yl]-N-hydroxyhexanamide Traditional Name: 6-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]hexanehydroxamic acid Formula: C18H21IN6O3S MolecularWeight: 528.36721

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCCCC(=O)NO)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCCCC(=O)NO)N=CN=C3N

InChI

InChI=1S/C18H21IN6O3S/c1-28-11-6-7-12(19)13(9-11)29-18-23-15-16(20)21-10-22-17(15)25(18)8-4-2-3-5-14(26)24-27/h6-7,9-10,27H,2-5,8H2,1H3,(H,24,26)(H2,20,21,22)