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

Systemtic Name: 5-butyl-2-(3-fluoranyl-4-octoxy-phenyl)pyrimidine Openeye Name: 5-butyl-2-(3-fluoro-4-octoxy-phenyl)pyrimidine CAS Name: 5-butyl-2-(3-fluoro-4-octoxyphenyl)pyrimidine IUPAC Name: 5-butyl-2-(3-fluoro-4-octoxyphenyl)pyrimidine Traditional Name: 5-butyl-2-(3-fluoro-4-octoxy-phenyl)pyrimidine Formula: C22H31FN2O MolecularWeight: 358.492743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=NC=C(C=N2)CCCC)F

InChI

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