5-butyl-2-(3-fluoranyl-4-heptyl-phenyl)pyrimidine

Systemtic Name: 5-butyl-2-(3-fluoranyl-4-heptyl-phenyl)pyrimidine Openeye Name: 5-butyl-2-(3-fluoro-4-heptyl-phenyl)pyrimidine CAS Name: 5-butyl-2-(3-fluoro-4-heptylphenyl)pyrimidine IUPAC Name: 5-butyl-2-(3-fluoro-4-heptylphenyl)pyrimidine Traditional Name: 5-butyl-2-(3-fluoro-4-heptyl-phenyl)pyrimidine Formula: C21H29FN2 MolecularWeight: 328.466763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCC)F

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCC)F

InChI

InChI=1S/C21H29FN2/c1-3-5-7-8-9-11-18-12-13-19(14-20(18)22)21-23-15-17(16-24-21)10-6-4-2/h12-16H,3-11H2,1-2H3