2-[2-(4-butoxy-3-fluoranyl-phenyl)ethyl]-5-pentyl-pyrimidine

Systemtic Name: 2-[2-(4-butoxy-3-fluoranyl-phenyl)ethyl]-5-pentyl-pyrimidine Openeye Name: 2-[2-(4-butoxy-3-fluoro-phenyl)ethyl]-5-pentyl-pyrimidine CAS Name: 2-[2-(4-butoxy-3-fluorophenyl)ethyl]-5-pentylpyrimidine IUPAC Name: 2-[2-(4-butoxy-3-fluorophenyl)ethyl]-5-pentylpyrimidine Traditional Name: 5-amyl-2-[2-(4-butoxy-3-fluoro-phenyl)ethyl]pyrimidine Formula: C21H29FN2O MolecularWeight: 344.466163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)CCC2=CC(=C(C=C2)OCCCC)F

Isomeric SMILES

CCCCCC1=CN=C(N=C1)CCC2=CC(=C(C=C2)OCCCC)F

InChI

InChI=1S/C21H29FN2O/c1-3-5-7-8-18-15-23-21(24-16-18)12-10-17-9-11-20(19(22)14-17)25-13-6-4-2/h9,11,14-16H,3-8,10,12-13H2,1-2H3