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

Systemtic Name: 2-[6-[2-(4-azanyl-3-iodanyl-phenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-[2-(4-amino-3-iodo-phenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-[2-(4-amino-3-iodophenyl)ethylamino]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-[2-(4-amino-3-iodophenyl)ethylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-[2-(4-amino-3-iodo-phenyl)ethylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H21IN6O4 MolecularWeight: 512.30161

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H21IN6O4/c19-10-5-9(1-2-11(10)20)3-4-21-16-13-17(23-7-22-16)25(8-24-13)18-15(28)14(27)12(6-26)29-18/h1-2,5,7-8,12,14-15,18,26-28H,3-4,6,20H2,(H,21,22,23)