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

Systemtic Name: 2-(hydroxymethyl)-5-[6-(2-phenylethynyl)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(2-phenylethynyl)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(2-phenylethynyl)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(2-phenylethynyl)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[6-(2-phenylethynyl)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C18H16N4O4/c23-8-13-15(24)16(25)18(26-13)22-10-21-14-12(19-9-20-17(14)22)7-6-11-4-2-1-3-5-11/h1-5,9-10,13,15-16,18,23-25H,8H2