2-(hydroxymethyl)-5-[6-(methoxyamino)-2-(2-pyridin-4-ylethynyl)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-(methoxyamino)-2-(2-pyridin-4-ylethynyl)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-(methoxyamino)-2-[2-(4-pyridyl)ethynyl]purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-(methoxyamino)-2-(2-pyridin-4-ylethynyl)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-(methoxyamino)-2-(2-pyridin-4-ylethynyl)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-[6-(methoxyamino)-2-[2-(4-pyridyl)ethynyl]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C18H18N6O5 MolecularWeight: 398.37272

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Descriptors Computed from Structure

Canonical SMILES:

CONC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CC4=CC=NC=C4

Isomeric SMILES

CONC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)C#CC4=CC=NC=C4

InChI

InChI=1S/C18H18N6O5/c1-28-23-16-13-17(22-12(21-16)3-2-10-4-6-19-7-5-10)24(9-20-13)18-15(27)14(26)11(8-25)29-18/h4-7,9,11,14-15,18,25-27H,8H2,1H3,(H,21,22,23)