2-[2,3-bis(fluoranyl)-4-nonoxy-phenyl]-5-(6-fluoranylheptyl)pyrimidine

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-nonoxy-phenyl]-5-(6-fluoranylheptyl)pyrimidine Openeye Name: 2-(2,3-difluoro-4-nonoxy-phenyl)-5-(6-fluoroheptyl)pyrimidine CAS Name: 2-(2,3-difluoro-4-nonoxyphenyl)-5-(6-fluoroheptyl)pyrimidine IUPAC Name: 2-(2,3-difluoro-4-nonoxyphenyl)-5-(6-fluoroheptyl)pyrimidine Traditional Name: 2-(2,3-difluoro-4-nonoxy-phenyl)-5-(6-fluoroheptyl)pyrimidine Formula: C26H37F3N2O MolecularWeight: 450.57999

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=N2)CCCCCC(C)F)F)F

Isomeric SMILES

CCCCCCCCCOC1=C(C(=C(C=C1)C2=NC=C(C=N2)CCCCCC(C)F)F)F

InChI

InChI=1S/C26H37F3N2O/c1-3-4-5-6-7-8-12-17-32-23-16-15-22(24(28)25(23)29)26-30-18-21(19-31-26)14-11-9-10-13-20(2)27/h15-16,18-20H,3-14,17H2,1-2H3