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

Systemtic Name: 9-[2-(tert-butylamino)ethyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-[2-(tert-butylamino)ethyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-[2-(tert-butylamino)ethyl]-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[2-(tert-butylamino)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-tert-butyl-amine Formula: C18H23IN6OS MolecularWeight: 498.38429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23IN6OS/c1-18(2,3)23-7-8-25-16-14(15(20)21-10-22-16)24-17(25)27-13-9-11(26-4)5-6-12(13)19/h5-6,9-10,23H,7-8H2,1-4H3,(H2,20,21,22)