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

Systemtic Name: 2-[6-azanyl-2-(6-azanylhex-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Openeye Name: 2-[6-amino-2-(6-aminohex-1-ynyl)purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol CAS Name: 2-[6-amino-2-(6-aminohex-1-ynyl)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol IUPAC Name: 2-[6-amino-2-(6-aminohex-1-ynyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol Traditional Name: 2-[6-amino-2-(6-aminohex-1-ynyl)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol Formula: C16H22N6O4 MolecularWeight: 362.38368

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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

Isomeric SMILES

C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)C#CCCCCN

InChI

InChI=1S/C16H22N6O4/c17-6-4-2-1-3-5-10-20-14(18)11-15(21-10)22(8-19-11)16-13(25)12(24)9(7-23)26-16/h8-9,12-13,16,23-25H,1-2,4,6-7,17H2,(H2,18,20,21)