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

Systemtic Name: 2-(3-fluoranyl-4-heptyl-phenyl)-5-pentyl-pyrimidine Openeye Name: 2-(3-fluoro-4-heptyl-phenyl)-5-pentyl-pyrimidine CAS Name: 2-(3-fluoro-4-heptylphenyl)-5-pentylpyrimidine IUPAC Name: 2-(3-fluoro-4-heptylphenyl)-5-pentylpyrimidine Traditional Name: 5-amyl-2-(3-fluoro-4-heptyl-phenyl)pyrimidine Formula: C22H31FN2 MolecularWeight: 342.493343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31FN2/c1-3-5-7-8-10-12-19-13-14-20(15-21(19)23)22-24-16-18(17-25-22)11-9-6-4-2/h13-17H,3-12H2,1-2H3