2-(hydroxymethyl)-5-[6-[(4-iodophenyl)amino]purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-[(4-iodophenyl)amino]purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(4-iodoanilino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(4-iodoanilino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(4-iodoanilino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-(4-iodoanilino)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C16H16IN5O4 MolecularWeight: 469.23381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)I

Isomeric SMILES

C1=CC(=CC=C1NC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)I

InChI

InChI=1S/C16H16IN5O4/c17-8-1-3-9(4-2-8)21-14-11-15(19-6-18-14)22(7-20-11)16-13(25)12(24)10(5-23)26-16/h1-4,6-7,10,12-13,16,23-25H,5H2,(H,18,19,21)