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

Systemtic Name: 9-[3-(dimethylamino)propyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-[3-(dimethylamino)propyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-[3-(dimethylamino)propyl]-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[3-(dimethylamino)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-dimethyl-amine Formula: C17H21IN6OS MolecularWeight: 484.35771

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

Isomeric SMILES

CN(C)CCCN1C2=C(C(=NC=N2)N)N=C1SC3=C(C=CC(=C3)OC)I

InChI

InChI=1S/C17H21IN6OS/c1-23(2)7-4-8-24-16-14(15(19)20-10-21-16)22-17(24)26-13-9-11(25-3)5-6-12(13)18/h5-6,9-10H,4,7-8H2,1-3H3,(H2,19,20,21)