6-(2-phenylethynyl)-9-(phenylmethyl)purine

Systemtic Name: 6-(2-phenylethynyl)-9-(phenylmethyl)purine Openeye Name: 9-benzyl-6-(2-phenylethynyl)purine CAS Name: 6-(2-phenylethynyl)-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-6-(2-phenylethynyl)purine Traditional Name: 9-benzyl-6-(2-phenylethynyl)purine Formula: C20H14N4 MolecularWeight: 310.35196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)C#CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)C#CC4=CC=CC=C4

InChI

InChI=1S/C20H14N4/c1-3-7-16(8-4-1)11-12-18-19-20(22-14-21-18)24(15-23-19)13-17-9-5-2-6-10-17/h1-10,14-15H,13H2