2-[3-fluoranyl-4-(3-fluoranylpentoxy)phenyl]-5-hexyl-pyrimidine

Systemtic Name: 2-[3-fluoranyl-4-(3-fluoranylpentoxy)phenyl]-5-hexyl-pyrimidine Openeye Name: 2-[3-fluoro-4-(3-fluoropentoxy)phenyl]-5-hexyl-pyrimidine CAS Name: 2-[3-fluoro-4-(3-fluoropentoxy)phenyl]-5-hexylpyrimidine IUPAC Name: 2-[3-fluoro-4-(3-fluoropentoxy)phenyl]-5-hexylpyrimidine Traditional Name: 2-[3-fluoro-4-(3-fluoropentoxy)phenyl]-5-hexyl-pyrimidine Formula: C21H28F2N2O MolecularWeight: 362.456626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCC(CC)F)F

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCC(CC)F)F

InChI

InChI=1S/C21H28F2N2O/c1-3-5-6-7-8-16-14-24-21(25-15-16)17-9-10-20(19(23)13-17)26-12-11-18(22)4-2/h9-10,13-15,18H,3-8,11-12H2,1-2H3