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

Systemtic Name: 2-ethynyl-5-[6-(oxan-4-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-ethynyl-5-[6-(tetrahydropyran-4-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-ethynyl-5-[6-(4-oxanylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-ethynyl-5-[6-(oxan-4-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-ethynyl-5-[6-(tetrahydropyran-4-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1C(C(C(O1)N2C=NC3=C2N=CN=C3NC4CCOCC4)O)O

Isomeric SMILES

C#CC1C(C(C(O1)N2C=NC3=C2N=CN=C3NC4CCOCC4)O)O

InChI

InChI=1S/C16H19N5O4/c1-2-10-12(22)13(23)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-3-5-24-6-4-9/h1,7-10,12-13,16,22-23H,3-6H2,(H,17,18,20)