8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-(3-piperidin-1-ylpropyl)purin-6-amine

Systemtic Name: 8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-(3-piperidin-1-ylpropyl)purin-6-amine Openeye Name: 8-(2-iodo-5-methoxy-phenyl)sulfanyl-9-[3-(1-piperidyl)propyl]purin-6-amine CAS Name: 8-[(2-iodo-5-methoxyphenyl)thio]-9-[3-(1-piperidinyl)propyl]-6-purinamine IUPAC Name: 8-(2-iodo-5-methoxyphenyl)sulfanyl-9-(3-piperidin-1-ylpropyl)purin-6-amine Traditional Name: [8-[(2-iodo-5-methoxy-phenyl)thio]-9-(3-piperidinopropyl)purin-6-yl]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(N2CCCN4CCCCC4)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCN4CCCCC4)N=CN=C3N

InChI

InChI=1S/C20H25IN6OS/c1-28-14-6-7-15(21)16(12-14)29-20-25-17-18(22)23-13-24-19(17)27(20)11-5-10-26-8-3-2-4-9-26/h6-7,12-13H,2-5,8-11H2,1H3,(H2,22,23,24)