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

Systemtic Name: 2-[6-(cyclopropyloxyamino)-2-(2-phenylethynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(cyclopropoxyamino)-2-(2-phenylethynyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(cyclopropyloxyamino)-2-(2-phenylethynyl)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(cyclopropyloxyamino)-2-(2-phenylethynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(cyclopropoxyamino)-2-(2-phenylethynyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1ONC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C#CC5=CC=CC=C5

Isomeric SMILES

C1CC1ONC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)C#CC5=CC=CC=C5

InChI

InChI=1S/C21H21N5O5/c27-10-14-17(28)18(29)21(30-14)26-11-22-16-19(25-31-13-7-8-13)23-15(24-20(16)26)9-6-12-4-2-1-3-5-12/h1-5,11,13-14,17-18,21,27-29H,7-8,10H2,(H,23,24,25)