2-(4-chloranyl-3-fluoranyl-phenyl)-5-oct-1-ynyl-pyrimidine

Systemtic Name: 2-(4-chloranyl-3-fluoranyl-phenyl)-5-oct-1-ynyl-pyrimidine Openeye Name: 2-(4-chloro-3-fluoro-phenyl)-5-oct-1-ynyl-pyrimidine CAS Name: 2-(4-chloro-3-fluorophenyl)-5-oct-1-ynylpyrimidine IUPAC Name: 2-(4-chloro-3-fluorophenyl)-5-oct-1-ynylpyrimidine Traditional Name: 2-(4-chloro-3-fluoro-phenyl)-5-oct-1-ynyl-pyrimidine Formula: C18H18ClFN2 MolecularWeight: 316.800323

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CN=C(N=C1)C2=CC(=C(C=C2)Cl)F

Isomeric SMILES

CCCCCCC#CC1=CN=C(N=C1)C2=CC(=C(C=C2)Cl)F

InChI

InChI=1S/C18H18ClFN2/c1-2-3-4-5-6-7-8-14-12-21-18(22-13-14)15-9-10-16(19)17(20)11-15/h9-13H,2-6H2,1H3