8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-(3-morpholin-4-ylpropyl)purin-6-amine

Systemtic Name: 8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-(3-morpholin-4-ylpropyl)purin-6-amine Openeye Name: 8-(2-iodo-5-methoxy-phenyl)sulfanyl-9-(3-morpholinopropyl)purin-6-amine CAS Name: 8-[(2-iodo-5-methoxyphenyl)thio]-9-[3-(4-morpholinyl)propyl]-6-purinamine IUPAC Name: 8-(2-iodo-5-methoxyphenyl)sulfanyl-9-(3-morpholin-4-ylpropyl)purin-6-amine Traditional Name: [8-[(2-iodo-5-methoxy-phenyl)thio]-9-(3-morpholinopropyl)purin-6-yl]amine Formula: C19H23IN6O2S MolecularWeight: 526.39439

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCN4CCOCC4)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCN4CCOCC4)N=CN=C3N

InChI

InChI=1S/C19H23IN6O2S/c1-27-13-3-4-14(20)15(11-13)29-19-24-16-17(21)22-12-23-18(16)26(19)6-2-5-25-7-9-28-10-8-25/h3-4,11-12H,2,5-10H2,1H3,(H2,21,22,23)