9-[3-(cyclooctylamino)propyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-[3-(cyclooctylamino)propyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-[3-(cyclooctylamino)propyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-[3-(cyclooctylamino)propyl]-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[3-(cyclooctylamino)propyl]-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-6-amine Traditional Name: 3-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]propyl-cyclooctyl-amine Formula: C23H31IN6OS MolecularWeight: 566.50131

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCNC4CCCCCCC4)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCNC4CCCCCCC4)N=CN=C3N

InChI

InChI=1S/C23H31IN6OS/c1-31-17-10-11-18(24)19(14-17)32-23-29-20-21(25)27-15-28-22(20)30(23)13-7-12-26-16-8-5-3-2-4-6-9-16/h10-11,14-16,26H,2-9,12-13H2,1H3,(H2,25,27,28)