5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chloranyl-3-fluoranyl-phenyl)pyrimidine

Systemtic Name: 5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chloranyl-3-fluoranyl-phenyl)pyrimidine Openeye Name: 5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chloro-3-fluoro-phenyl)pyrimidine CAS Name: 5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chloro-3-fluorophenyl)pyrimidine IUPAC Name: 5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chloro-3-fluorophenyl)pyrimidine Traditional Name: 5-[2-(5-butyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chloro-3-fluoro-phenyl)pyrimidine Formula: C20H20ClFN2O2 MolecularWeight: 374.836403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1COC(OC1)C#CC2=CN=C(N=C2)C3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CCCCC1COC(OC1)C#CC2=CN=C(N=C2)C3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C20H20ClFN2O2/c1-2-3-4-15-12-25-19(26-13-15)8-5-14-10-23-20(24-11-14)16-6-7-17(21)18(22)9-16/h6-7,9-11,15,19H,2-4,12-13H2,1H3