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

Systemtic Name: 2-(4-decylphenyl)-5-[4-(2-fluoranylbutoxy)phenyl]pyrimidine Openeye Name: 2-(4-decylphenyl)-5-[4-(2-fluorobutoxy)phenyl]pyrimidine CAS Name: 2-(4-decylphenyl)-5-[4-(2-fluorobutoxy)phenyl]pyrimidine IUPAC Name: 2-(4-decylphenyl)-5-[4-(2-fluorobutoxy)phenyl]pyrimidine Traditional Name: 2-(4-decylphenyl)-5-[4-(2-fluorobutoxy)phenyl]pyrimidine Formula: C30H39FN2O MolecularWeight: 462.641863

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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(CC)F

Isomeric SMILES

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

InChI

InChI=1S/C30H39FN2O/c1-3-5-6-7-8-9-10-11-12-24-13-15-26(16-14-24)30-32-21-27(22-33-30)25-17-19-29(20-18-25)34-23-28(31)4-2/h13-22,28H,3-12,23H2,1-2H3