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

Systemtic Name: 2-[6-(ethoxyamino)-2-(2-phenylethynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-(ethoxyamino)-2-(2-phenylethynyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-(ethoxyamino)-2-(2-phenylethynyl)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-(ethoxyamino)-2-(2-phenylethynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-(ethoxyamino)-2-(2-phenylethynyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CCONC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CC4=CC=CC=C4

Isomeric SMILES

CCONC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O5/c1-2-29-24-18-15-19(23-14(22-18)9-8-12-6-4-3-5-7-12)25(11-21-15)20-17(28)16(27)13(10-26)30-20/h3-7,11,13,16-17,20,26-28H,2,10H2,1H3,(H,22,23,24)