9-(4-chloranylbutyl)-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine

Systemtic Name: 9-(4-chloranylbutyl)-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-6-amine Openeye Name: 9-(4-chlorobutyl)-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-6-amine CAS Name: 9-(4-chlorobutyl)-8-[(2-iodo-5-methoxyphenyl)thio]-6-purinamine IUPAC Name: 9-(4-chlorobutyl)-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-6-amine Traditional Name: [9-(4-chlorobutyl)-8-[(2-iodo-5-methoxy-phenyl)thio]purin-6-yl]amine Formula: C16H17ClIN5OS MolecularWeight: 489.76155

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCCCl)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCCCCl)N=CN=C3N

InChI

InChI=1S/C16H17ClIN5OS/c1-24-10-4-5-11(18)12(8-10)25-16-22-13-14(19)20-9-21-15(13)23(16)7-3-2-6-17/h4-5,8-9H,2-3,6-7H2,1H3,(H2,19,20,21)