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

Systemtic Name: 2-ethynyl-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-ethynyl-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-ethynyl-5-[6-(3-oxolanylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-ethynyl-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-ethynyl-5-[6-(tetrahydrofuran-3-ylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C15H17N5O4 MolecularWeight: 331.32658

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1C(C(C(O1)N2C=NC3=C2N=CN=C3NC4CCOC4)O)O

Isomeric SMILES

C#CC1C(C(C(O1)N2C=NC3=C2N=CN=C3NC4CCOC4)O)O

InChI

InChI=1S/C15H17N5O4/c1-2-9-11(21)12(22)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-4-23-5-8/h1,6-9,11-12,15,21-22H,3-5H2,(H,16,17,19)