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

Systemtic Name: 2-(4-chloranyl-3-fluoranyl-phenyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethynyl]pyrimidine Openeye Name: 2-(4-chloro-3-fluoro-phenyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethynyl]pyrimidine CAS Name: 2-(4-chloro-3-fluorophenyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethynyl]pyrimidine IUPAC Name: 2-(4-chloro-3-fluorophenyl)-5-[2-(5-pentyl-1,3-dioxan-2-yl)ethynyl]pyrimidine Traditional Name: 5-[2-(5-amyl-1,3-dioxan-2-yl)ethynyl]-2-(4-chloro-3-fluoro-phenyl)pyrimidine Formula: C21H22ClFN2O2 MolecularWeight: 388.862983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1COC(OC1)C#CC2=CN=C(N=C2)C3=CC(=C(C=C3)Cl)F

Isomeric SMILES

CCCCCC1COC(OC1)C#CC2=CN=C(N=C2)C3=CC(=C(C=C3)Cl)F

InChI

InChI=1S/C21H22ClFN2O2/c1-2-3-4-5-16-13-26-20(27-14-16)9-6-15-11-24-21(25-12-15)17-7-8-18(22)19(23)10-17/h7-8,10-12,16,20H,2-5,13-14H2,1H3