6-chloranyl-2-(2-cyclopentylethynyl)-8-(3-fluorophenyl)-9-methyl-purine

Systemtic Name: 6-chloranyl-2-(2-cyclopentylethynyl)-8-(3-fluorophenyl)-9-methyl-purine Openeye Name: 6-chloro-2-(2-cyclopentylethynyl)-8-(3-fluorophenyl)-9-methyl-purine CAS Name: 6-chloro-2-(2-cyclopentylethynyl)-8-(3-fluorophenyl)-9-methylpurine IUPAC Name: 6-chloro-2-(2-cyclopentylethynyl)-8-(3-fluorophenyl)-9-methylpurine Traditional Name: 6-chloro-2-(2-cyclopentylethynyl)-8-(3-fluorophenyl)-9-methyl-purine Formula: C19H16ClFN4 MolecularWeight: 354.808543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C#CC3CCCC3)Cl)N=C1C4=CC(=CC=C4)F

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C#CC3CCCC3)Cl)N=C1C4=CC(=CC=C4)F

InChI

InChI=1S/C19H16ClFN4/c1-25-18(13-7-4-8-14(21)11-13)24-16-17(20)22-15(23-19(16)25)10-9-12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6H2,1H3