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

Systemtic Name: 2-[3-fluoranyl-4-(3-fluoranyloctoxy)phenyl]-5-heptyl-pyrimidine Openeye Name: 2-[3-fluoro-4-(3-fluorooctoxy)phenyl]-5-heptyl-pyrimidine CAS Name: 2-[3-fluoro-4-(3-fluorooctoxy)phenyl]-5-heptylpyrimidine IUPAC Name: 2-[3-fluoro-4-(3-fluorooctoxy)phenyl]-5-heptylpyrimidine Traditional Name: 2-[3-fluoro-4-(3-fluorooctoxy)phenyl]-5-heptyl-pyrimidine Formula: C25H36F2N2O MolecularWeight: 418.562946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCC(CCCCC)F)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCC(CCCCC)F)F

InChI

InChI=1S/C25H36F2N2O/c1-3-5-7-8-10-11-20-18-28-25(29-19-20)21-13-14-24(23(27)17-21)30-16-15-22(26)12-9-6-4-2/h13-14,17-19,22H,3-12,15-16H2,1-2H3