5-[2-azanyl-6-[(4-iodophenyl)methoxy]purin-9-yl]oxolane-2,3,4-triol

Systemtic Name: 5-[2-azanyl-6-[(4-iodophenyl)methoxy]purin-9-yl]oxolane-2,3,4-triol Openeye Name: 5-[2-amino-6-[(4-iodophenyl)methoxy]purin-9-yl]tetrahydrofuran-2,3,4-triol CAS Name: 5-[2-amino-6-[(4-iodophenyl)methoxy]-9-purinyl]oxolane-2,3,4-triol IUPAC Name: 5-[2-amino-6-[(4-iodophenyl)methoxy]purin-9-yl]oxolane-2,3,4-triol Traditional Name: 5-[2-amino-6-(4-iodobenzyl)oxy-purin-9-yl]tetrahydrofuran-2,3,4-triol Formula: C16H16IN5O5 MolecularWeight: 485.23321

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC2=NC(=NC3=C2N=CN3C4C(C(C(O4)O)O)O)N)I

Isomeric SMILES

C1=CC(=CC=C1COC2=NC(=NC3=C2N=CN3C4C(C(C(O4)O)O)O)N)I

InChI

InChI=1S/C16H16IN5O5/c17-8-3-1-7(2-4-8)5-26-13-9-12(20-16(18)21-13)22(6-19-9)14-10(23)11(24)15(25)27-14/h1-4,6,10-11,14-15,23-25H,5H2,(H2,18,20,21)