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

Systemtic Name: 8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-[2-(propan-2-ylamino)ethyl]purin-6-amine Openeye Name: 8-(2-iodo-5-methoxy-phenyl)sulfanyl-9-[2-(isopropylamino)ethyl]purin-6-amine CAS Name: 8-[(2-iodo-5-methoxyphenyl)thio]-9-[2-(propan-2-ylamino)ethyl]-6-purinamine IUPAC Name: 8-(2-iodo-5-methoxyphenyl)sulfanyl-9-[2-(propan-2-ylamino)ethyl]purin-6-amine Traditional Name: 2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]ethyl-isopropyl-amine Formula: C17H21IN6OS MolecularWeight: 484.35771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CC(C)NCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C17H21IN6OS/c1-10(2)20-6-7-24-16-14(15(19)21-9-22-16)23-17(24)26-13-8-11(25-3)4-5-12(13)18/h4-5,8-10,20H,6-7H2,1-3H3,(H2,19,21,22)