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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-(2-fluoranyloctoxy)phenyl]-5-heptyl-pyrimidine Openeye Name: 2-[2,3-difluoro-4-(2-fluorooctoxy)phenyl]-5-heptyl-pyrimidine CAS Name: 2-[2,3-difluoro-4-(2-fluorooctoxy)phenyl]-5-heptylpyrimidine IUPAC Name: 2-[2,3-difluoro-4-(2-fluorooctoxy)phenyl]-5-heptylpyrimidine Traditional Name: 2-[2,3-difluoro-4-(2-fluorooctoxy)phenyl]-5-heptyl-pyrimidine Formula: C25H35F3N2O MolecularWeight: 436.55341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)OCC(CCCCCC)F)F)F

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=C(C(=C(C=C2)OCC(CCCCCC)F)F)F

InChI

InChI=1S/C25H35F3N2O/c1-3-5-7-9-10-12-19-16-29-25(30-17-19)21-14-15-22(24(28)23(21)27)31-18-20(26)13-11-8-6-4-2/h14-17,20H,3-13,18H2,1-2H3