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

Systemtic Name: 2-(4-chloranyl-3-fluoranyl-phenyl)-5-[2-(5-pent-4-enyl-1,3-dioxan-2-yl)ethynyl]pyrimidine Openeye Name: 2-(4-chloro-3-fluoro-phenyl)-5-[2-(5-pent-4-enyl-1,3-dioxan-2-yl)ethynyl]pyrimidine CAS Name: 2-(4-chloro-3-fluorophenyl)-5-[2-(5-pent-4-enyl-1,3-dioxan-2-yl)ethynyl]pyrimidine IUPAC Name: 2-(4-chloro-3-fluorophenyl)-5-[2-(5-pent-4-enyl-1,3-dioxan-2-yl)ethynyl]pyrimidine Traditional Name: 2-(4-chloro-3-fluoro-phenyl)-5-[2-(5-pent-4-enyl-1,3-dioxan-2-yl)ethynyl]pyrimidine Formula: C21H20ClFN2O2 MolecularWeight: 386.847103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O2/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/h2,7-8,10-12,16,20H,1,3-5,13-14H2