2-[3-fluoranyl-4-(3-fluoranylbutoxy)phenyl]-5-tridecyl-pyrimidine

Systemtic Name: 2-[3-fluoranyl-4-(3-fluoranylbutoxy)phenyl]-5-tridecyl-pyrimidine Openeye Name: 2-[3-fluoro-4-(3-fluorobutoxy)phenyl]-5-tridecyl-pyrimidine CAS Name: 2-[3-fluoro-4-(3-fluorobutoxy)phenyl]-5-tridecylpyrimidine IUPAC Name: 2-[3-fluoro-4-(3-fluorobutoxy)phenyl]-5-tridecylpyrimidine Traditional Name: 2-[3-fluoro-4-(3-fluorobutoxy)phenyl]-5-tridecyl-pyrimidine Formula: C27H40F2N2O MolecularWeight: 446.616106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCC(C)F)F

Isomeric SMILES

CCCCCCCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCC(C)F)F

InChI

InChI=1S/C27H40F2N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-23-20-30-27(31-21-23)24-15-16-26(25(29)19-24)32-18-17-22(2)28/h15-16,19-22H,3-14,17-18H2,1-2H3