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

Systemtic Name: 2-(hydroxymethyl)-5-[2-(3-phenoxyprop-1-ynyl)-6-(pyridin-3-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[2-(3-phenoxyprop-1-ynyl)-6-(3-pyridylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[2-(3-phenoxyprop-1-ynyl)-6-(3-pyridinylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[2-(3-phenoxyprop-1-ynyl)-6-(pyridin-3-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-methylol-5-[2-(3-phenoxyprop-1-ynyl)-6-(3-pyridylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C24H22N6O5 MolecularWeight: 474.46868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC#CC2=NC3=C(C(=N2)NC4=CN=CC=C4)N=CN3C5C(C(C(O5)CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)OCC#CC2=NC3=C(C(=N2)NC4=CN=CC=C4)N=CN3C5C(C(C(O5)CO)O)O

InChI

InChI=1S/C24H22N6O5/c31-13-17-20(32)21(33)24(35-17)30-14-26-19-22(27-15-6-4-10-25-12-15)28-18(29-23(19)30)9-5-11-34-16-7-2-1-3-8-16/h1-4,6-8,10,12,14,17,20-21,24,31-33H,11,13H2,(H,27,28,29)