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

Systemtic Name: 9-[2-(cycloheptylamino)ethyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-[2-(cycloheptylamino)ethyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-[2-(cycloheptylamino)ethyl]-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[2-(cycloheptylamino)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-cycloheptyl-amine Formula: C21H27IN6OS MolecularWeight: 538.44815

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNC4CCCCCC4)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNC4CCCCCC4)N=CN=C3N

InChI

InChI=1S/C21H27IN6OS/c1-29-15-8-9-16(22)17(12-15)30-21-27-18-19(23)25-13-26-20(18)28(21)11-10-24-14-6-4-2-3-5-7-14/h8-9,12-14,24H,2-7,10-11H2,1H3,(H2,23,25,26)