2-[2,3-bis(fluoranyl)-4-hexoxy-phenyl]-5-(6-octoxypyridin-3-yl)pyrimidine

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-hexoxy-phenyl]-5-(6-octoxypyridin-3-yl)pyrimidine Openeye Name: 2-(2,3-difluoro-4-hexoxy-phenyl)-5-(6-octoxy-3-pyridyl)pyrimidine CAS Name: 2-(2,3-difluoro-4-hexoxyphenyl)-5-(6-octoxy-3-pyridinyl)pyrimidine IUPAC Name: 2-(2,3-difluoro-4-hexoxyphenyl)-5-(6-octoxypyridin-3-yl)pyrimidine Traditional Name: 2-(2,3-difluoro-4-hexoxy-phenyl)-5-(6-octoxy-3-pyridyl)pyrimidine Formula: C29H37F2N3O2 MolecularWeight: 497.619786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC=C(C=C1)C2=CN=C(N=C2)C3=C(C(=C(C=C3)OCCCCCC)F)F

Isomeric SMILES

CCCCCCCCOC1=NC=C(C=C1)C2=CN=C(N=C2)C3=C(C(=C(C=C3)OCCCCCC)F)F

InChI

InChI=1S/C29H37F2N3O2/c1-3-5-7-9-10-12-18-36-26-16-13-22(19-32-26)23-20-33-29(34-21-23)24-14-15-25(28(31)27(24)30)35-17-11-8-6-4-2/h13-16,19-21H,3-12,17-18H2,1-2H3