8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-[3-(2-methylbutan-2-ylamino)propyl]purin-6-amine

Systemtic Name: 8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-9-[3-(2-methylbutan-2-ylamino)propyl]purin-6-amine Openeye Name: 9-[3-(1,1-dimethylpropylamino)propyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 8-[(2-iodo-5-methoxyphenyl)thio]-9-[3-(2-methylbutan-2-ylamino)propyl]-6-purinamine IUPAC Name: 8-(2-iodo-5-methoxyphenyl)sulfanyl-9-[3-(2-methylbutan-2-ylamino)propyl]purin-6-amine Traditional Name: 3-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]propyl-tert-amyl-amine Formula: C20H27IN6OS MolecularWeight: 526.43745

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CCC(C)(C)NCCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C20H27IN6OS/c1-5-20(2,3)25-9-6-10-27-18-16(17(22)23-12-24-18)26-19(27)29-15-11-13(28-4)7-8-14(15)21/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H2,22,23,24)