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

Systemtic Name: 2-[2-[6-azanyl-8-(2-iodanyl-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethylamino]ethanol Openeye Name: 2-[2-[6-amino-8-(2-iodo-5-methoxy-phenyl)sulfanyl-purin-9-yl]ethylamino]ethanol CAS Name: 2-[2-[6-amino-8-[(2-iodo-5-methoxyphenyl)thio]-9-purinyl]ethylamino]ethanol IUPAC Name: 2-[2-[6-amino-8-(2-iodo-5-methoxyphenyl)sulfanylpurin-9-yl]ethylamino]ethanol Traditional Name: 2-[2-[6-amino-8-[(2-iodo-5-methoxy-phenyl)thio]purin-9-yl]ethylamino]ethanol Formula: C16H19IN6O2S MolecularWeight: 486.33053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNCCO)N=CN=C3N

Isomeric SMILES

COC1=CC(=C(C=C1)I)SC2=NC3=C(N2CCNCCO)N=CN=C3N

InChI

InChI=1S/C16H19IN6O2S/c1-25-10-2-3-11(17)12(8-10)26-16-22-13-14(18)20-9-21-15(13)23(16)6-4-19-5-7-24/h2-3,8-9,19,24H,4-7H2,1H3,(H2,18,20,21)