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

Systemtic Name: 2-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethanol Openeye Name: 2-[6-amino-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethanol CAS Name: 2-[6-amino-8-[(2-iodo-5-methoxyphenyl)thio]-9-purinyl]ethanol IUPAC Name: 2-[6-amino-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-9-yl]ethanol Traditional Name: 2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]ethanol Formula: C14H14IN5O2S MolecularWeight: 443.26273

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCO)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCO)N=CN=C3N

InChI

InChI=1S/C14H14IN5O2S/c1-22-8-2-3-9(15)10(6-8)23-14-19-11-12(16)17-7-18-13(11)20(14)4-5-21/h2-3,6-7,21H,4-5H2,1H3,(H2,16,17,18)