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

Systemtic Name: 2-[6-azanyl-2-(5-cyclooctylpent-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(5-cyclooctylpent-1-ynyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(5-cyclooctylpent-1-ynyl)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-(5-cyclooctylpent-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(5-cyclooctylpent-1-ynyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C23H33N5O4 MolecularWeight: 443.53922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)CCCC#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

Isomeric SMILES

C1CCCC(CCC1)CCCC#CC2=NC3=C(C(=N2)N)N=CN3C4C(C(C(O4)CO)O)O

InChI

InChI=1S/C23H33N5O4/c24-21-18-22(28(14-25-18)23-20(31)19(30)16(13-29)32-23)27-17(26-21)12-8-4-7-11-15-9-5-2-1-3-6-10-15/h14-16,19-20,23,29-31H,1-7,9-11,13H2,(H2,24,26,27)