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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)CCCCC)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)CCCCC)F

InChI

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