2-[6-azanyl-2-(6-azidohex-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

Systemtic Name: 2-[6-azanyl-2-(6-azidohex-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(6-azidohex-1-ynyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(6-azidohex-1-ynyl)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-(6-azidohex-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(6-azidohex-1-ynyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C16H20N8O4 MolecularWeight: 388.3812

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)C#CCCCCN=[N+]=[N-]

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)C#CCCCCN=[N+]=[N-]

InChI

InChI=1S/C16H20N8O4/c17-14-11-15(22-10(21-14)5-3-1-2-4-6-20-23-18)24(8-19-11)16-13(27)12(26)9(7-25)28-16/h8-9,12-13,16,25-27H,1-2,4,6-7H2,(H2,17,21,22)