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

Systemtic Name: 3-[6-azanyl-2-(2-thiophen-2-ylethynyl)purin-9-yl]propane-1,2-diol Openeye Name: 3-[6-amino-2-[2-(2-thienyl)ethynyl]purin-9-yl]propane-1,2-diol CAS Name: 3-[6-amino-2-(2-thiophen-2-ylethynyl)-9-purinyl]propane-1,2-diol IUPAC Name: 3-[6-amino-2-(2-thiophen-2-ylethynyl)purin-9-yl]propane-1,2-diol Traditional Name: 3-[6-amino-2-[2-(2-thienyl)ethynyl]purin-9-yl]propane-1,2-diol Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O2S/c15-13-12-14(19(8-16-12)6-9(21)7-20)18-11(17-13)4-3-10-2-1-5-22-10/h1-2,5,8-9,20-21H,6-7H2,(H2,15,17,18)