5-[2-[4-[(E)-but-1-enyl]-2-fluoranyl-phenyl]ethynyl]-2-butyl-pyrimidine

Systemtic Name: 5-[2-[4-[(E)-but-1-enyl]-2-fluoranyl-phenyl]ethynyl]-2-butyl-pyrimidine Openeye Name: 5-[2-[4-[(E)-but-1-enyl]-2-fluoro-phenyl]ethynyl]-2-butyl-pyrimidine CAS Name: 5-[2-[4-[(E)-but-1-enyl]-2-fluorophenyl]ethynyl]-2-butylpyrimidine IUPAC Name: 5-[2-[4-[(E)-but-1-enyl]-2-fluorophenyl]ethynyl]-2-butylpyrimidine Traditional Name: 5-[2-[4-[(E)-but-1-enyl]-2-fluoro-phenyl]ethynyl]-2-butyl-pyrimidine Formula: C20H21FN2 MolecularWeight: 308.392543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC=C(C=N1)C#CC2=C(C=C(C=C2)C=CCC)F

Isomeric SMILES

CCCCC1=NC=C(C=N1)C#CC2=C(C=C(C=C2)/C=C/CC)F

InChI

InChI=1S/C20H21FN2/c1-3-5-7-16-9-11-18(19(21)13-16)12-10-17-14-22-20(23-15-17)8-6-4-2/h5,7,9,11,13-15H,3-4,6,8H2,1-2H3/b7-5+