9-(3-azanylpropyl)-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-(3-azanylpropyl)-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-(3-aminopropyl)-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-(3-aminopropyl)-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-(3-aminopropyl)-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-6-amine Traditional Name: 3-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]propylamine Formula: C15H17IN6OS MolecularWeight: 456.30455

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCN)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCN)N=CN=C3N

InChI

InChI=1S/C15H17IN6OS/c1-23-9-3-4-10(16)11(7-9)24-15-21-12-13(18)19-8-20-14(12)22(15)6-2-5-17/h3-4,7-8H,2,5-6,17H2,1H3,(H2,18,19,20)