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

Systemtic Name: 5-[4-(2-fluoranyl-3-methyl-pentoxy)phenyl]-2-(4-pentylphenyl)pyrimidine Openeye Name: 5-[4-(2-fluoro-3-methyl-pentoxy)phenyl]-2-(4-pentylphenyl)pyrimidine CAS Name: 5-[4-(2-fluoro-3-methylpentoxy)phenyl]-2-(4-pentylphenyl)pyrimidine IUPAC Name: 5-[4-(2-fluoro-3-methylpentoxy)phenyl]-2-(4-pentylphenyl)pyrimidine Traditional Name: 2-(4-amylphenyl)-5-[4-(2-fluoro-3-methyl-pentoxy)phenyl]pyrimidine Formula: C27H33FN2O MolecularWeight: 420.562123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)CC)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)CC)F

InChI

InChI=1S/C27H33FN2O/c1-4-6-7-8-21-9-11-23(12-10-21)27-29-17-24(18-30-27)22-13-15-25(16-14-22)31-19-26(28)20(3)5-2/h9-18,20,26H,4-8,19H2,1-3H3