2-[6-azanyl-2-[2-(1-oxidanyl-2-adamantyl)ethynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-[2-(1-oxidanyl-2-adamantyl)ethynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-[2-(1-hydroxy-2-adamantyl)ethynyl]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-[2-(1-hydroxy-2-adamantyl)ethynyl]-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-[2-(1-hydroxy-2-adamantyl)ethynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-[2-(1-hydroxy-2-adamantyl)ethynyl]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3C#CC4=NC5=C(C(=N4)N)N=CN5C6C(C(C(O6)CO)O)O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3C#CC4=NC5=C(C(=N4)N)N=CN5C6C(C(C(O6)CO)O)O)O

InChI

InChI=1S/C22H27N5O5/c23-19-16-20(27(9-24-16)21-18(30)17(29)14(8-28)32-21)26-15(25-19)2-1-13-12-4-10-3-11(5-12)7-22(13,31)6-10/h9-14,17-18,21,28-31H,3-8H2,(H2,23,25,26)