2-ethynyl-5-[6-(pyridin-3-ylamino)purin-9-yl]oxolane-3,4-diol

Systemtic Name: 2-ethynyl-5-[6-(pyridin-3-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-ethynyl-5-[6-(3-pyridylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-ethynyl-5-[6-(3-pyridinylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-ethynyl-5-[6-(pyridin-3-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-ethynyl-5-[6-(3-pyridylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C16H14N6O3 MolecularWeight: 338.32076

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1C(C(C(O1)N2C=NC3=C2N=CN=C3NC4=CN=CC=C4)O)O

Isomeric SMILES

C#CC1C(C(C(O1)N2C=NC3=C2N=CN=C3NC4=CN=CC=C4)O)O

InChI

InChI=1S/C16H14N6O3/c1-2-10-12(23)13(24)16(25-10)22-8-20-11-14(18-7-19-15(11)22)21-9-4-3-5-17-6-9/h1,3-8,10,12-13,16,23-24H,(H,18,19,21)