(2R,3R,4S,5R)-2-[6-[2-(4-azido-3-iodanyl-phenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: (2R,3R,4S,5R)-2-[6-[2-(4-azido-3-iodanyl-phenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: (2R,3R,4S,5R)-2-[6-[2-(4-azido-3-iodanyl-phenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: (2R,3R,4S,5R)-2-[6-[2-(4-azido-3-iodanylphenyl)ethylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: (2R,3R,4S,5R)-2-[6-[2-(4-azido-3-iodanylphenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: (2R,3R,4S,5R)-2-[6-[2-(4-azido-3-iodanyl-phenyl)ethylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H19IN8O4 MolecularWeight: 536.299284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)I)N=[N+]=[N-]

Isomeric SMILES

C1=CC(=C(C=C1CCNC2=NC=NC3=C2N=CN3[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O)[125I])N=[N+]=[N-]

InChI

InChI=1S/C18H19IN8O4/c19-10-5-9(1-2-11(10)25-26-20)3-4-21-16-13-17(23-7-22-16)27(8-24-13)18-15(30)14(29)12(6-28)31-18/h1-2,5,7-8,12,14-15,18,28-30H,3-4,6H2,(H,21,22,23)/t12-,14-,15-,18-/m1/s1/i19-2