2-(3-fluoranyl-4-heptoxy-phenyl)-5-octyl-pyrimidine

Systemtic Name: 2-(3-fluoranyl-4-heptoxy-phenyl)-5-octyl-pyrimidine Openeye Name: 2-(3-fluoro-4-heptoxy-phenyl)-5-octyl-pyrimidine CAS Name: 2-(3-fluoro-4-heptoxyphenyl)-5-octylpyrimidine IUPAC Name: 2-(3-fluoro-4-heptoxyphenyl)-5-octylpyrimidine Traditional Name: 2-(3-fluoro-4-heptoxy-phenyl)-5-octyl-pyrimidine Formula: C25H37FN2O MolecularWeight: 400.572483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCCCCCC)F

InChI

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