6-(2-phenylethynyl)-9-(phenylmethyl)purin-2-amine

Systemtic Name: 6-(2-phenylethynyl)-9-(phenylmethyl)purin-2-amine Openeye Name: 9-benzyl-6-(2-phenylethynyl)purin-2-amine CAS Name: 6-(2-phenylethynyl)-9-(phenylmethyl)-2-purinamine IUPAC Name: 9-benzyl-6-(2-phenylethynyl)purin-2-amine Traditional Name: [9-benzyl-6-(2-phenylethynyl)purin-2-yl]amine Formula: C20H15N5 MolecularWeight: 325.3666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5/c21-20-23-17(12-11-15-7-3-1-4-8-15)18-19(24-20)25(14-22-18)13-16-9-5-2-6-10-16/h1-10,14H,13H2,(H2,21,23,24)