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

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

Systemtic Name:5-(3-fluoranyl-7-methyl-decoxy)-2-(4-octylphenyl)pyrimidine
Openeye Name:5-(3-fluoro-7-methyl-decoxy)-2-(4-octylphenyl)pyrimidine
CAS Name:5-(3-fluoro-7-methyldecoxy)-2-(4-octylphenyl)pyrimidine
IUPAC Name:5-(3-fluoro-7-methyldecoxy)-2-(4-octylphenyl)pyrimidine
Traditional Name:5-(3-fluoro-7-methyl-decoxy)-2-(4-octylphenyl)pyrimidine
Formula: C29H45FN2O
MolecularWeight: 456.678803
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C29H45FN2O/c1-4-6-7-8-9-10-14-25-16-18-26(19-17-25)29-31-22-28(23-32-29)33-21-20-27(30)15-11-13-24(3)12-5-2/h16-19,22-24,27H,4-15,20-21H2,1-3H3


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