2-[3-fluoranyl-4-(3-fluoranyloctoxy)phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[3-fluoranyl-4-(3-fluoranyloctoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[3-fluoro-4-(3-fluorooctoxy)phenyl]-5-octyl-pyrimidine CAS Name: 2-[3-fluoro-4-(3-fluorooctoxy)phenyl]-5-octylpyrimidine IUPAC Name: 2-[3-fluoro-4-(3-fluorooctoxy)phenyl]-5-octylpyrimidine Traditional Name: 2-[3-fluoro-4-(3-fluorooctoxy)phenyl]-5-octyl-pyrimidine Formula: C26H38F2N2O MolecularWeight: 432.589526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCC(CCCCC)F)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCC(CCCCC)F)F

InChI

InChI=1S/C26H38F2N2O/c1-3-5-7-8-9-11-12-21-19-29-26(30-20-21)22-14-15-25(24(28)18-22)31-17-16-23(27)13-10-6-4-2/h14-15,18-20,23H,3-13,16-17H2,1-2H3