5-dodecyl-2-[4-(2-fluoranylheptoxy)phenyl]pyrimidine

Systemtic Name: 5-dodecyl-2-[4-(2-fluoranylheptoxy)phenyl]pyrimidine Openeye Name: 5-dodecyl-2-[4-(2-fluoroheptoxy)phenyl]pyrimidine CAS Name: 5-dodecyl-2-[4-(2-fluoroheptoxy)phenyl]pyrimidine IUPAC Name: 5-dodecyl-2-[4-(2-fluoroheptoxy)phenyl]pyrimidine Traditional Name: 2-[4-(2-fluoroheptoxy)phenyl]-5-lauryl-pyrimidine Formula: C29H45FN2O MolecularWeight: 456.678803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(CCCCC)F

Isomeric SMILES

CCCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(CCCCC)F

InChI

InChI=1S/C29H45FN2O/c1-3-5-7-8-9-10-11-12-13-15-16-25-22-31-29(32-23-25)26-18-20-28(21-19-26)33-24-27(30)17-14-6-4-2/h18-23,27H,3-17,24H2,1-2H3