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

Systemtic Name: 8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-[2-(2-methoxyethylamino)ethyl]purin-6-amine Openeye Name: 8-(2-iodo-5-methoxy-phenyl)sulfanyl-9-[2-(2-methoxyethylamino)ethyl]purin-6-amine CAS Name: 8-[(2-iodo-5-methoxyphenyl)thio]-9-[2-(2-methoxyethylamino)ethyl]-6-purinamine IUPAC Name: 8-(2-iodo-5-methoxyphenyl)sulfanyl-9-[2-(2-methoxyethylamino)ethyl]purin-6-amine Traditional Name: 2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]ethyl-(2-methoxyethyl)amine Formula: C17H21IN6O2S MolecularWeight: 500.35711

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Descriptors Computed from Structure

Canonical SMILES:

COCCNCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

COCCNCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C17H21IN6O2S/c1-25-8-6-20-5-7-24-16-14(15(19)21-10-22-16)23-17(24)27-13-9-11(26-2)3-4-12(13)18/h3-4,9-10,20H,5-8H2,1-2H3,(H2,19,21,22)