5-[2-(4-butylcyclohexyl)ethynyl]-2-(4-chloranyl-3-fluoranyl-phenyl)pyrimidine

Systemtic Name: 5-[2-(4-butylcyclohexyl)ethynyl]-2-(4-chloranyl-3-fluoranyl-phenyl)pyrimidine Openeye Name: 5-[2-(4-butylcyclohexyl)ethynyl]-2-(4-chloro-3-fluoro-phenyl)pyrimidine CAS Name: 5-[2-(4-butylcyclohexyl)ethynyl]-2-(4-chloro-3-fluorophenyl)pyrimidine IUPAC Name: 5-[2-(4-butylcyclohexyl)ethynyl]-2-(4-chloro-3-fluorophenyl)pyrimidine Traditional Name: 5-[2-(4-butylcyclohexyl)ethynyl]-2-(4-chloro-3-fluoro-phenyl)pyrimidine Formula: C22H24ClFN2 MolecularWeight: 370.890763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C#CC2=CN=C(N=C2)C3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CCCCC1CCC(CC1)C#CC2=CN=C(N=C2)C3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C22H24ClFN2/c1-2-3-4-16-5-7-17(8-6-16)9-10-18-14-25-22(26-15-18)19-11-12-20(23)21(24)13-19/h11-17H,2-8H2,1H3