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

Systemtic Name: N-[2-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethyl]methanesulfonamide Openeye Name: N-[2-[6-amino-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethyl]methanesulfonamide CAS Name: N-[2-[6-amino-8-[(2-iodo-5-methoxyphenyl)thio]-9-purinyl]ethyl]methanesulfonamide IUPAC Name: N-[2-[6-amino-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-9-yl]ethyl]methanesulfonamide Traditional Name: N-[2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]ethyl]methanesulfonamide Formula: C15H17IN6O3S2 MolecularWeight: 520.36835

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNS(=O)(=O)C)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNS(=O)(=O)C)N=CN=C3N

InChI

InChI=1S/C15H17IN6O3S2/c1-25-9-3-4-10(16)11(7-9)26-15-21-12-13(17)18-8-19-14(12)22(15)6-5-20-27(2,23)24/h3-4,7-8,20H,5-6H2,1-2H3,(H2,17,18,19)