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

Systemtic Name: 2-phenyl-6-(2-phenylethynyl)-9-(phenylmethyl)purine Openeye Name: 9-benzyl-2-phenyl-6-(2-phenylethynyl)purine CAS Name: 2-phenyl-6-(2-phenylethynyl)-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-2-phenyl-6-(2-phenylethynyl)purine Traditional Name: 9-benzyl-2-phenyl-6-(2-phenylethynyl)purine Formula: C26H18N4 MolecularWeight: 386.44792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)C4=CC=CC=C4)C#CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)C4=CC=CC=C4)C#CC5=CC=CC=C5

InChI

InChI=1S/C26H18N4/c1-4-10-20(11-5-1)16-17-23-24-26(29-25(28-23)22-14-8-3-9-15-22)30(19-27-24)18-21-12-6-2-7-13-21/h1-15,19H,18H2