2-(3-fluoranyl-4-octoxy-phenyl)-5-heptyl-pyrimidine

Systemtic Name: 2-(3-fluoranyl-4-octoxy-phenyl)-5-heptyl-pyrimidine Openeye Name: 2-(3-fluoro-4-octoxy-phenyl)-5-heptyl-pyrimidine CAS Name: 2-(3-fluoro-4-octoxyphenyl)-5-heptylpyrimidine IUPAC Name: 2-(3-fluoro-4-octoxyphenyl)-5-heptylpyrimidine Traditional Name: 2-(3-fluoro-4-octoxy-phenyl)-5-heptyl-pyrimidine Formula: C25H37FN2O MolecularWeight: 400.572483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCCCCC)F

InChI

InChI=1S/C25H37FN2O/c1-3-5-7-9-11-13-17-29-24-16-15-22(18-23(24)26)25-27-19-21(20-28-25)14-12-10-8-6-4-2/h15-16,18-20H,3-14,17H2,1-2H3