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

Systemtic Name: 2-chloranyl-6-(2-phenylethynyl)-9-(phenylmethyl)purine Openeye Name: 9-benzyl-2-chloro-6-(2-phenylethynyl)purine CAS Name: 2-chloro-6-(2-phenylethynyl)-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-2-chloro-6-(2-phenylethynyl)purine Traditional Name: 9-benzyl-2-chloro-6-(2-phenylethynyl)purine Formula: C20H13ClN4 MolecularWeight: 344.79702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClN4/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