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

Systemtic Name: 9-[3-(3,3-dimethylbutan-2-ylamino)propyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 8-(2-iodo-5-methoxy-phenyl)sulfanyl-9-[3-(1,2,2-trimethylpropylamino)propyl]purin-6-amine CAS Name: 9-[3-(3,3-dimethylbutan-2-ylamino)propyl]-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[3-(3,3-dimethylbutan-2-ylamino)propyl]-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-6-amine Traditional Name: 3-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]propyl-(1,2,2-trimethylpropyl)amine Formula: C21H29IN6OS MolecularWeight: 540.46403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29IN6OS/c1-13(21(2,3)4)24-9-6-10-28-19-17(18(23)25-12-26-19)27-20(28)30-16-11-14(29-5)7-8-15(16)22/h7-8,11-13,24H,6,9-10H2,1-5H3,(H2,23,25,26)