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

Systemtic Name: 8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-(2-piperidin-1-ylethyl)purin-6-amine Openeye Name: 8-(2-iodo-5-methoxy-phenyl)sulfanyl-9-[2-(1-piperidyl)ethyl]purin-6-amine CAS Name: 8-[(2-iodo-5-methoxyphenyl)thio]-9-[2-(1-piperidinyl)ethyl]-6-purinamine IUPAC Name: 8-(2-iodo-5-methoxyphenyl)sulfanyl-9-(2-piperidin-1-ylethyl)purin-6-amine Traditional Name: [8-[(2-iodo-5-methoxy-phenyl)thio]-9-(2-piperidinoethyl)purin-6-yl]amine Formula: C19H23IN6OS MolecularWeight: 510.39499

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCN4CCCCC4)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCN4CCCCC4)N=CN=C3N

InChI

InChI=1S/C19H23IN6OS/c1-27-13-5-6-14(20)15(11-13)28-19-24-16-17(21)22-12-23-18(16)26(19)10-9-25-7-3-2-4-8-25/h5-6,11-12H,2-4,7-10H2,1H3,(H2,21,22,23)