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

Systemtic Name: 2-(4-decoxyphenyl)-5-[4-(2-fluoranyl-3-methyl-butoxy)phenyl]pyrimidine Openeye Name: 2-(4-decoxyphenyl)-5-[4-(2-fluoro-3-methyl-butoxy)phenyl]pyrimidine CAS Name: 2-(4-decoxyphenyl)-5-[4-(2-fluoro-3-methylbutoxy)phenyl]pyrimidine IUPAC Name: 2-(4-decoxyphenyl)-5-[4-(2-fluoro-3-methylbutoxy)phenyl]pyrimidine Traditional Name: 2-(4-decoxyphenyl)-5-[4-(2-fluoro-3-methyl-butoxy)phenyl]pyrimidine Formula: C31H41FN2O2 MolecularWeight: 492.667843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)C)F

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OCC(C(C)C)F

InChI

InChI=1S/C31H41FN2O2/c1-4-5-6-7-8-9-10-11-20-35-28-18-14-26(15-19-28)31-33-21-27(22-34-31)25-12-16-29(17-13-25)36-23-30(32)24(2)3/h12-19,21-22,24,30H,4-11,20,23H2,1-3H3