6-(2-phenylethynyl)-1,7-dihydropurin-2-one

Systemtic Name: 6-(2-phenylethynyl)-1,7-dihydropurin-2-one Openeye Name: 6-(2-phenylethynyl)-1,7-dihydropurin-2-one CAS Name: 6-(2-phenylethynyl)-1,7-dihydropurin-2-one IUPAC Name: 6-(2-phenylethynyl)-1,7-dihydropurin-2-one Traditional Name: 6-(2-phenylethynyl)-1,7-dihydropurin-2-one Formula: C13H8N4O MolecularWeight: 236.22882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=C3C(=NC(=O)N2)N=CN3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=C3C(=NC(=O)N2)N=CN3

InChI

InChI=1S/C13H8N4O/c18-13-16-10(11-12(17-13)15-8-14-11)7-6-9-4-2-1-3-5-9/h1-5,8H,(H2,14,15,16,17,18)