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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C2=NC=C(C=N2)C3CCC(CC3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C2=NC=C(C=N2)C3CCC(CC3)CCCCCCC)F

InChI

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