2-[3-fluoranyl-4-(8-methyldecoxy)phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[3-fluoranyl-4-(8-methyldecoxy)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[3-fluoro-4-(8-methyldecoxy)phenyl]-5-octyl-pyrimidine CAS Name: 2-[3-fluoro-4-(8-methyldecoxy)phenyl]-5-octylpyrimidine IUPAC Name: 2-[3-fluoro-4-(8-methyldecoxy)phenyl]-5-octylpyrimidine Traditional Name: 2-[3-fluoro-4-(8-methyldecoxy)phenyl]-5-octyl-pyrimidine Formula: C29H45FN2O MolecularWeight: 456.678803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCCCCCCC(C)CC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCCCCCCC(C)CC)F

InChI

InChI=1S/C29H45FN2O/c1-4-6-7-8-11-14-17-25-22-31-29(32-23-25)26-18-19-28(27(30)21-26)33-20-15-12-9-10-13-16-24(3)5-2/h18-19,21-24H,4-17,20H2,1-3H3