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

Systemtic Name: 2-(hydroxymethyl)-5-[2-(2-phenylethynyl)-6-(propoxyamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[2-(2-phenylethynyl)-6-(propoxyamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[2-(2-phenylethynyl)-6-(propoxyamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[2-(2-phenylethynyl)-6-(propoxyamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[2-(2-phenylethynyl)-6-(propoxyamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

CCCONC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CC4=CC=CC=C4

Isomeric SMILES

CCCONC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CC4=CC=CC=C4

InChI

InChI=1S/C21H23N5O5/c1-2-10-30-25-19-16-20(24-15(23-19)9-8-13-6-4-3-5-7-13)26(12-22-16)21-18(29)17(28)14(11-27)31-21/h3-7,12,14,17-18,21,27-29H,2,10-11H2,1H3,(H,23,24,25)