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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=NC3=C(C(=N2)NOC)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=NC3=C(C(=N2)NOC)N=CN3C4C(C(C(O4)CO)O)O

InChI

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