2-(4-butoxyphenyl)-5-[4-(2-fluoranyl-3-methyl-butoxy)phenyl]pyrimidine

Systemtic Name: 2-(4-butoxyphenyl)-5-[4-(2-fluoranyl-3-methyl-butoxy)phenyl]pyrimidine Openeye Name: 2-(4-butoxyphenyl)-5-[4-(2-fluoro-3-methyl-butoxy)phenyl]pyrimidine CAS Name: 2-(4-butoxyphenyl)-5-[4-(2-fluoro-3-methylbutoxy)phenyl]pyrimidine IUPAC Name: 2-(4-butoxyphenyl)-5-[4-(2-fluoro-3-methylbutoxy)phenyl]pyrimidine Traditional Name: 2-(4-butoxyphenyl)-5-[4-(2-fluoro-3-methyl-butoxy)phenyl]pyrimidine Formula: C25H29FN2O2 MolecularWeight: 408.508363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)C)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)C)F

InChI

InChI=1S/C25H29FN2O2/c1-4-5-14-29-22-12-8-20(9-13-22)25-27-15-21(16-28-25)19-6-10-23(11-7-19)30-17-24(26)18(2)3/h6-13,15-16,18,24H,4-5,14,17H2,1-3H3