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

Systemtic Name: 6-chloranyl-2-(2-phenylethynyl)-9-(phenylmethyl)purine Openeye Name: 9-benzyl-6-chloro-2-(2-phenylethynyl)purine CAS Name: 6-chloro-2-(2-phenylethynyl)-9-(phenylmethyl)purine IUPAC Name: 9-benzyl-6-chloro-2-(2-phenylethynyl)purine Traditional Name: 9-benzyl-6-chloro-2-(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=C2N=C(N=C3Cl)C#CC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3Cl)C#CC4=CC=CC=C4

InChI

InChI=1S/C20H13ClN4/c21-19-18-20(25(14-22-18)13-16-9-5-2-6-10-16)24-17(23-19)12-11-15-7-3-1-4-8-15/h1-10,14H,13H2