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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-(3-fluoranylnonyl)phenyl]-5-heptyl-pyrimidine Openeye Name: 2-[2,3-difluoro-4-(3-fluorononyl)phenyl]-5-heptyl-pyrimidine CAS Name: 2-[2,3-difluoro-4-(3-fluorononyl)phenyl]-5-heptylpyrimidine IUPAC Name: 2-[2,3-difluoro-4-(3-fluorononyl)phenyl]-5-heptylpyrimidine Traditional Name: 2-[2,3-difluoro-4-(3-fluorononyl)phenyl]-5-heptyl-pyrimidine Formula: C26H37F3N2 MolecularWeight: 434.58059

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37F3N2/c1-3-5-7-9-10-12-20-18-30-26(31-19-20)23-17-15-21(24(28)25(23)29)14-16-22(27)13-11-8-6-4-2/h15,17-19,22H,3-14,16H2,1-2H3