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

Systemtic Name: 2-(4-fluorophenyl)-5-[2-(5-pent-4-enyl-1,3-dioxan-2-yl)ethynyl]pyrimidine Openeye Name: 2-(4-fluorophenyl)-5-[2-(5-pent-4-enyl-1,3-dioxan-2-yl)ethynyl]pyrimidine CAS Name: 2-(4-fluorophenyl)-5-[2-(5-pent-4-enyl-1,3-dioxan-2-yl)ethynyl]pyrimidine IUPAC Name: 2-(4-fluorophenyl)-5-[2-(5-pent-4-enyl-1,3-dioxan-2-yl)ethynyl]pyrimidine Traditional Name: 2-(4-fluorophenyl)-5-[2-(5-pent-4-enyl-1,3-dioxan-2-yl)ethynyl]pyrimidine Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O2/c1-2-3-4-5-17-14-25-20(26-15-17)11-6-16-12-23-21(24-13-16)18-7-9-19(22)10-8-18/h2,7-10,12-13,17,20H,1,3-5,14-15H2