2-[4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]phenyl]-5-butoxy-pyrimidine

Systemtic Name: 2-[4-[2,3-bis(fluoranyl)-4-octoxy-phenyl]phenyl]-5-butoxy-pyrimidine Openeye Name: 5-butoxy-2-[4-(2,3-difluoro-4-octoxy-phenyl)phenyl]pyrimidine CAS Name: 5-butoxy-2-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]pyrimidine IUPAC Name: 5-butoxy-2-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]pyrimidine Traditional Name: 5-butoxy-2-[4-(2,3-difluoro-4-octoxy-phenyl)phenyl]pyrimidine Formula: C28H34F2N2O2 MolecularWeight: 468.578566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OCCCC)F)F

InChI

InChI=1S/C28H34F2N2O2/c1-3-5-7-8-9-10-18-34-25-16-15-24(26(29)27(25)30)21-11-13-22(14-12-21)28-31-19-23(20-32-28)33-17-6-4-2/h11-16,19-20H,3-10,17-18H2,1-2H3