2-[3-fluoranyl-4-(4-heptylcyclohexyl)phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[3-fluoranyl-4-(4-heptylcyclohexyl)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[3-fluoro-4-(4-heptylcyclohexyl)phenyl]-5-octyl-pyrimidine CAS Name: 2-[3-fluoro-4-(4-heptylcyclohexyl)phenyl]-5-octylpyrimidine IUPAC Name: 2-[3-fluoro-4-(4-heptylcyclohexyl)phenyl]-5-octylpyrimidine Traditional Name: 2-[3-fluoro-4-(4-heptylcyclohexyl)phenyl]-5-octyl-pyrimidine Formula: C31H47FN2 MolecularWeight: 466.716683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C3CCC(CC3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)C3CCC(CC3)CCCCCCC)F

InChI

InChI=1S/C31H47FN2/c1-3-5-7-9-11-13-15-26-23-33-31(34-24-26)28-20-21-29(30(32)22-28)27-18-16-25(17-19-27)14-12-10-8-6-4-2/h20-25,27H,3-19H2,1-2H3