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

Systemtic Name: 9-[3-(cyclopropylamino)propyl]-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-[3-(cyclopropylamino)propyl]-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-[3-(cyclopropylamino)propyl]-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-[3-(cyclopropylamino)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-cyclopropyl-amine Formula: C18H21IN6OS MolecularWeight: 496.36841

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCNC4CC4)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCNC4CC4)N=CN=C3N

InChI

InChI=1S/C18H21IN6OS/c1-26-12-5-6-13(19)14(9-12)27-18-24-15-16(20)22-10-23-17(15)25(18)8-2-7-21-11-3-4-11/h5-6,9-11,21H,2-4,7-8H2,1H3,(H2,20,22,23)