5-[4-(2-fluoranyl-3-methyl-pentoxy)phenyl]-2-(4-hexoxyphenyl)pyrimidine

Systemtic Name: 5-[4-(2-fluoranyl-3-methyl-pentoxy)phenyl]-2-(4-hexoxyphenyl)pyrimidine Openeye Name: 5-[4-(2-fluoro-3-methyl-pentoxy)phenyl]-2-(4-hexoxyphenyl)pyrimidine CAS Name: 5-[4-(2-fluoro-3-methylpentoxy)phenyl]-2-(4-hexoxyphenyl)pyrimidine IUPAC Name: 5-[4-(2-fluoro-3-methylpentoxy)phenyl]-2-(4-hexoxyphenyl)pyrimidine Traditional Name: 5-[4-(2-fluoro-3-methyl-pentoxy)phenyl]-2-(4-hexoxyphenyl)pyrimidine Formula: C28H35FN2O2 MolecularWeight: 450.588103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)CC)F

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)CC)F

InChI

InChI=1S/C28H35FN2O2/c1-4-6-7-8-17-32-25-15-11-23(12-16-25)28-30-18-24(19-31-28)22-9-13-26(14-10-22)33-20-27(29)21(3)5-2/h9-16,18-19,21,27H,4-8,17,20H2,1-3H3