2-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethanamide

Systemtic Name: 2-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethanamide Openeye Name: 2-[6-amino-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-9-yl]acetamide CAS Name: 2-[6-amino-8-[(2-iodo-5-methoxyphenyl)thio]-9-purinyl]acetamide IUPAC Name: 2-[6-amino-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-9-yl]acetamide Traditional Name: 2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]acetamide Formula: C14H13IN6O2S MolecularWeight: 456.26149

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CC(=O)N)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CC(=O)N)N=CN=C3N

InChI

InChI=1S/C14H13IN6O2S/c1-23-7-2-3-8(15)9(4-7)24-14-20-11-12(17)18-6-19-13(11)21(14)5-10(16)22/h2-4,6H,5H2,1H3,(H2,16,22)(H2,17,18,19)