3-[6-azanyl-2-(2-phenylethynyl)purin-9-yl]propane-1,2-diol

Systemtic Name: 3-[6-azanyl-2-(2-phenylethynyl)purin-9-yl]propane-1,2-diol Openeye Name: 3-[6-amino-2-(2-phenylethynyl)purin-9-yl]propane-1,2-diol CAS Name: 3-[6-amino-2-(2-phenylethynyl)-9-purinyl]propane-1,2-diol IUPAC Name: 3-[6-amino-2-(2-phenylethynyl)purin-9-yl]propane-1,2-diol Traditional Name: 3-[6-amino-2-(2-phenylethynyl)purin-9-yl]propane-1,2-diol Formula: C16H15N5O2 MolecularWeight: 309.3226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=NC3=C(C(=N2)N)N=CN3CC(CO)O

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=NC3=C(C(=N2)N)N=CN3CC(CO)O

InChI

InChI=1S/C16H15N5O2/c17-15-14-16(21(10-18-14)8-12(23)9-22)20-13(19-15)7-6-11-4-2-1-3-5-11/h1-5,10,12,22-23H,8-9H2,(H2,17,19,20)