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

Systemtic Name: 9-[3-(cyclobutylamino)propyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-[3-(cyclobutylamino)propyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-[3-(cyclobutylamino)propyl]-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[3-(cyclobutylamino)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-cyclobutyl-amine Formula: C19H23IN6OS MolecularWeight: 510.39499

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCNC4CCC4)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCNC4CCC4)N=CN=C3N

InChI

InChI=1S/C19H23IN6OS/c1-27-13-6-7-14(20)15(10-13)28-19-25-16-17(21)23-11-24-18(16)26(19)9-3-8-22-12-4-2-5-12/h6-7,10-12,22H,2-5,8-9H2,1H3,(H2,21,23,24)