5-[2-fluoranyl-3-[1-(4-pentylphenyl)ethyl]phenyl]-2-pentyl-pyrimidine

Systemtic Name: 5-[2-fluoranyl-3-[1-(4-pentylphenyl)ethyl]phenyl]-2-pentyl-pyrimidine Openeye Name: 5-[2-fluoro-3-[1-(4-pentylphenyl)ethyl]phenyl]-2-pentyl-pyrimidine CAS Name: 5-[2-fluoro-3-[1-(4-pentylphenyl)ethyl]phenyl]-2-pentylpyrimidine IUPAC Name: 5-[2-fluoro-3-[1-(4-pentylphenyl)ethyl]phenyl]-2-pentylpyrimidine Traditional Name: 2-amyl-5-[3-[1-(4-amylphenyl)ethyl]-2-fluoro-phenyl]pyrimidine Formula: C28H35FN2 MolecularWeight: 418.589303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(C)C2=CC=CC(=C2F)C3=CN=C(N=C3)CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(C)C2=CC=CC(=C2F)C3=CN=C(N=C3)CCCCC

InChI

InChI=1S/C28H35FN2/c1-4-6-8-11-22-15-17-23(18-16-22)21(3)25-12-10-13-26(28(25)29)24-19-30-27(31-20-24)14-9-7-5-2/h10,12-13,15-21H,4-9,11,14H2,1-3H3