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5-(3-fluoranyl-7-methyl-dodecoxy)-2-(4-octylphenyl)pyrimidine

5-(3-fluoranyl-7-methyl-dodecoxy)-2-(4-octylphenyl)pyrimidine

Systemtic Name:5-(3-fluoranyl-7-methyl-dodecoxy)-2-(4-octylphenyl)pyrimidine
Openeye Name:5-(3-fluoro-7-methyl-dodecoxy)-2-(4-octylphenyl)pyrimidine
CAS Name:5-(3-fluoro-7-methyldodecoxy)-2-(4-octylphenyl)pyrimidine
IUPAC Name:5-(3-fluoro-7-methyldodecoxy)-2-(4-octylphenyl)pyrimidine
Traditional Name:5-(3-fluoro-7-methyl-dodecoxy)-2-(4-octylphenyl)pyrimidine
Formula: C31H49FN2O
MolecularWeight: 484.731963
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(CCCC(C)CCCCC)F


Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCC(CCCC(C)CCCCC)F


InChI

InChI=1S/C31H49FN2O/c1-4-6-8-9-10-12-16-27-18-20-28(21-19-27)31-33-24-30(25-34-31)35-23-22-29(32)17-13-15-26(3)14-11-7-5-2/h18-21,24-26,29H,4-17,22-23H2,1-3H3


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