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

Systemtic Name: 2-(4-butylphenyl)-5-[4-(2-fluoranyl-4-methyl-pentoxy)phenyl]pyrimidine Openeye Name: 2-(4-butylphenyl)-5-[4-(2-fluoro-4-methyl-pentoxy)phenyl]pyrimidine CAS Name: 2-(4-butylphenyl)-5-[4-(2-fluoro-4-methylpentoxy)phenyl]pyrimidine IUPAC Name: 2-(4-butylphenyl)-5-[4-(2-fluoro-4-methylpentoxy)phenyl]pyrimidine Traditional Name: 2-(4-butylphenyl)-5-[4-(2-fluoro-4-methyl-pentoxy)phenyl]pyrimidine Formula: C26H31FN2O MolecularWeight: 406.535543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(CC(C)C)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(CC(C)C)F

InChI

InChI=1S/C26H31FN2O/c1-4-5-6-20-7-9-22(10-8-20)26-28-16-23(17-29-26)21-11-13-25(14-12-21)30-18-24(27)15-19(2)3/h7-14,16-17,19,24H,4-6,15,18H2,1-3H3