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

Systemtic Name: 2-ethynyl-5-[6-(oxan-3-ylmethylamino)purin-9-yl]oxolane-3,4-diol Openeye Name: 2-ethynyl-5-[6-(tetrahydropyran-3-ylmethylamino)purin-9-yl]tetrahydrofuran-3,4-diol CAS Name: 2-ethynyl-5-[6-(3-oxanylmethylamino)-9-purinyl]oxolane-3,4-diol IUPAC Name: 2-ethynyl-5-[6-(oxan-3-ylmethylamino)purin-9-yl]oxolane-3,4-diol Traditional Name: 2-ethynyl-5-[6-(tetrahydropyran-3-ylmethylamino)purin-9-yl]tetrahydrofuran-3,4-diol Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4CCCOC4)O)O

Isomeric SMILES

C#CC1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4CCCOC4)O)O

InChI

InChI=1S/C17H21N5O4/c1-2-11-13(23)14(24)17(26-11)22-9-21-12-15(19-8-20-16(12)22)18-6-10-4-3-5-25-7-10/h1,8-11,13-14,17,23-24H,3-7H2,(H,18,19,20)