2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-oxolane-3,4-diol

Systemtic Name: 2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-oxolane-3,4-diol Openeye Name: 2-ethynyl-2-(hydroxymethyl)-5-purin-9-yl-tetrahydrofuran-3,4-diol CAS Name: 2-ethynyl-2-(hydroxymethyl)-5-(9-purinyl)oxolane-3,4-diol IUPAC Name: 2-ethynyl-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol Traditional Name: 2-ethynyl-2-methylol-5-purin-9-yl-tetrahydrofuran-3,4-diol Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(C(C(C(O1)N2C=NC3=CN=CN=C32)O)O)CO

Isomeric SMILES

C#CC1(C(C(C(O1)N2C=NC3=CN=CN=C32)O)O)CO

InChI

InChI=1S/C12H12N4O4/c1-2-12(4-17)9(19)8(18)11(20-12)16-6-15-7-3-13-5-14-10(7)16/h1,3,5-6,8-9,11,17-19H,4H2