2-(4-decylphenyl)-5-[4-(2-fluoranylpentoxy)phenyl]pyrimidine

Systemtic Name: 2-(4-decylphenyl)-5-[4-(2-fluoranylpentoxy)phenyl]pyrimidine Openeye Name: 2-(4-decylphenyl)-5-[4-(2-fluoropentoxy)phenyl]pyrimidine CAS Name: 2-(4-decylphenyl)-5-[4-(2-fluoropentoxy)phenyl]pyrimidine IUPAC Name: 2-(4-decylphenyl)-5-[4-(2-fluoropentoxy)phenyl]pyrimidine Traditional Name: 2-(4-decylphenyl)-5-[4-(2-fluoropentoxy)phenyl]pyrimidine Formula: C31H41FN2O MolecularWeight: 476.668443

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(CCC)F

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(CCC)F

InChI

InChI=1S/C31H41FN2O/c1-3-5-6-7-8-9-10-11-13-25-14-16-27(17-15-25)31-33-22-28(23-34-31)26-18-20-30(21-19-26)35-24-29(32)12-4-2/h14-23,29H,3-13,24H2,1-2H3