2-[1-(6-aminopurin-9-yl)prop-2-ynyl]propane-1,3-diol

Systemtic Name: 2-[1-(6-aminopurin-9-yl)prop-2-ynyl]propane-1,3-diol Openeye Name: 2-[1-(6-aminopurin-9-yl)prop-2-ynyl]propane-1,3-diol CAS Name: 2-[1-(6-aminopurin-9-yl)prop-2-ynyl]propane-1,3-diol IUPAC Name: 2-[1-(6-aminopurin-9-yl)prop-2-ynyl]propane-1,3-diol Traditional Name: 2-(1-adenin-9-ylprop-2-ynyl)propane-1,3-diol Formula: C11H13N5O2 MolecularWeight: 247.25322

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(C(CO)CO)N1C=NC2=C1N=CN=C2N

Isomeric SMILES

C#CC(C(CO)CO)N1C=NC2=C1N=CN=C2N

InChI

InChI=1S/C11H13N5O2/c1-2-8(7(3-17)4-18)16-6-15-9-10(12)13-5-14-11(9)16/h1,5-8,17-18H,3-4H2,(H2,12,13,14)