9-[2-(cyclooctylamino)ethyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-[2-(cyclooctylamino)ethyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-[2-(cyclooctylamino)ethyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-[2-(cyclooctylamino)ethyl]-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[2-(cyclooctylamino)ethyl]-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-6-amine Traditional Name: 2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]ethyl-cyclooctyl-amine Formula: C22H29IN6OS MolecularWeight: 552.47473

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNC4CCCCCCC4)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNC4CCCCCCC4)N=CN=C3N

InChI

InChI=1S/C22H29IN6OS/c1-30-16-9-10-17(23)18(13-16)31-22-28-19-20(24)26-14-27-21(19)29(22)12-11-25-15-7-5-3-2-4-6-8-15/h9-10,13-15,25H,2-8,11-12H2,1H3,(H2,24,26,27)