9-[2-(3,3-dimethylbutylamino)ethyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-[2-(3,3-dimethylbutylamino)ethyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-[2-(3,3-dimethylbutylamino)ethyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-[2-(3,3-dimethylbutylamino)ethyl]-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[2-(3,3-dimethylbutylamino)ethyl]-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-6-amine Traditional Name: 2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]ethyl-(3,3-dimethylbutyl)amine Formula: C20H27IN6OS MolecularWeight: 526.43745

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CC(C)(C)CCNCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C20H27IN6OS/c1-20(2,3)7-8-23-9-10-27-18-16(17(22)24-12-25-18)26-19(27)29-15-11-13(28-4)5-6-14(15)21/h5-6,11-12,23H,7-10H2,1-4H3,(H2,22,24,25)