8-(2-phenylethynyl)-7H-purin-6-amine

Systemtic Name: 8-(2-phenylethynyl)-7H-purin-6-amine Openeye Name: 8-(2-phenylethynyl)-7H-purin-6-amine CAS Name: 8-(2-phenylethynyl)-7H-purin-6-amine IUPAC Name: 8-(2-phenylethynyl)-7H-purin-6-amine Traditional Name: [8-(2-phenylethynyl)-7H-purin-6-yl]amine Formula: C13H9N5 MolecularWeight: 235.24406

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=NC3=C(N2)C(=NC=N3)N

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=NC3=C(N2)C(=NC=N3)N

InChI

InChI=1S/C13H9N5/c14-12-11-13(16-8-15-12)18-10(17-11)7-6-9-4-2-1-3-5-9/h1-5,8H,(H3,14,15,16,17,18)