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

Systemtic Name: 2-(3-fluoranyl-4-heptoxy-phenyl)-5-pentyl-pyrimidine Openeye Name: 2-(3-fluoro-4-heptoxy-phenyl)-5-pentyl-pyrimidine CAS Name: 2-(3-fluoro-4-heptoxyphenyl)-5-pentylpyrimidine IUPAC Name: 2-(3-fluoro-4-heptoxyphenyl)-5-pentylpyrimidine Traditional Name: 5-amyl-2-(3-fluoro-4-heptoxy-phenyl)pyrimidine Formula: C22H31FN2O MolecularWeight: 358.492743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCCC)F

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCCC)F

InChI

InChI=1S/C22H31FN2O/c1-3-5-7-8-10-14-26-21-13-12-19(15-20(21)23)22-24-16-18(17-25-22)11-9-6-4-2/h12-13,15-17H,3-11,14H2,1-2H3