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

Systemtic Name: 9-[2-(cyclohexylamino)ethyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-[2-(cyclohexylamino)ethyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-[2-(cyclohexylamino)ethyl]-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[2-(cyclohexylamino)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-cyclohexyl-amine Formula: C20H25IN6OS MolecularWeight: 524.42157

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNC4CCCCC4)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNC4CCCCC4)N=CN=C3N

InChI

InChI=1S/C20H25IN6OS/c1-28-14-7-8-15(21)16(11-14)29-20-26-17-18(22)24-12-25-19(17)27(20)10-9-23-13-5-3-2-4-6-13/h7-8,11-13,23H,2-6,9-10H2,1H3,(H2,22,24,25)