2-(hydroxymethyl)-5-[6-(methylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(methylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(methylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(methylamino)-2-(3-phenoxyprop-1-ynyl)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(methylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-(methylamino)-2-(3-phenoxyprop-1-ynyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C20H21N5O5 MolecularWeight: 411.41124

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CCOC4=CC=CC=C4

Isomeric SMILES

CNC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CCOC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O5/c1-21-18-15-19(25(11-22-15)20-17(28)16(27)13(10-26)30-20)24-14(23-18)8-5-9-29-12-6-3-2-4-7-12/h2-4,6-7,11,13,16-17,20,26-28H,9-10H2,1H3,(H,21,23,24)