6-[2-(2-fluorophenyl)ethynyl]-9-(phenylmethyl)purin-2-amine

Systemtic Name: 6-[2-(2-fluorophenyl)ethynyl]-9-(phenylmethyl)purin-2-amine Openeye Name: 9-benzyl-6-[2-(2-fluorophenyl)ethynyl]purin-2-amine CAS Name: 6-[2-(2-fluorophenyl)ethynyl]-9-(phenylmethyl)-2-purinamine IUPAC Name: 9-benzyl-6-[2-(2-fluorophenyl)ethynyl]purin-2-amine Traditional Name: [9-benzyl-6-[2-(2-fluorophenyl)ethynyl]purin-2-yl]amine Formula: C20H14FN5 MolecularWeight: 343.357063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)N)C#CC4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)N)C#CC4=CC=CC=C4F

InChI

InChI=1S/C20H14FN5/c21-16-9-5-4-8-15(16)10-11-17-18-19(25-20(22)24-17)26(13-23-18)12-14-6-2-1-3-7-14/h1-9,13H,12H2,(H2,22,24,25)