2-[2,3-bis(fluoranyl)-4-(4-pentoxyphenyl)phenyl]-5-heptyl-pyrimidine

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-(4-pentoxyphenyl)phenyl]-5-heptyl-pyrimidine Openeye Name: 2-[2,3-difluoro-4-(4-pentoxyphenyl)phenyl]-5-heptyl-pyrimidine CAS Name: 2-[2,3-difluoro-4-(4-pentoxyphenyl)phenyl]-5-heptylpyrimidine IUPAC Name: 2-[2,3-difluoro-4-(4-pentoxyphenyl)phenyl]-5-heptylpyrimidine Traditional Name: 2-[4-(4-amoxyphenyl)-2,3-difluoro-phenyl]-5-heptyl-pyrimidine Formula: C28H34F2N2O MolecularWeight: 452.579166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCCCC)F)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)C3=CC=C(C=C3)OCCCCC)F)F

InChI

InChI=1S/C28H34F2N2O/c1-3-5-7-8-9-11-21-19-31-28(32-20-21)25-17-16-24(26(29)27(25)30)22-12-14-23(15-13-22)33-18-10-6-4-2/h12-17,19-20H,3-11,18H2,1-2H3