2-(4-dodecoxy-3-fluoranyl-phenyl)-5-hexyl-pyrimidine

Systemtic Name: 2-(4-dodecoxy-3-fluoranyl-phenyl)-5-hexyl-pyrimidine Openeye Name: 2-(4-dodecoxy-3-fluoro-phenyl)-5-hexyl-pyrimidine CAS Name: 2-(4-dodecoxy-3-fluorophenyl)-5-hexylpyrimidine IUPAC Name: 2-(4-dodecoxy-3-fluorophenyl)-5-hexylpyrimidine Traditional Name: 2-(3-fluoro-4-lauryloxy-phenyl)-5-hexyl-pyrimidine Formula: C28H43FN2O MolecularWeight: 442.652223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCCCC)F

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCCCC)F

InChI

InChI=1S/C28H43FN2O/c1-3-5-7-9-10-11-12-13-14-16-20-32-27-19-18-25(21-26(27)29)28-30-22-24(23-31-28)17-15-8-6-4-2/h18-19,21-23H,3-17,20H2,1-2H3