2-[3-fluoranyl-4-[(6S)-6-methyloctoxy]phenyl]-5-octyl-pyrimidine

Systemtic Name: 2-[3-fluoranyl-4-[(6S)-6-methyloctoxy]phenyl]-5-octyl-pyrimidine Openeye Name: 2-[3-fluoro-4-[(6S)-6-methyloctoxy]phenyl]-5-octyl-pyrimidine CAS Name: 2-[3-fluoro-4-[(6S)-6-methyloctoxy]phenyl]-5-octylpyrimidine IUPAC Name: 2-[3-fluoro-4-[(6S)-6-methyloctoxy]phenyl]-5-octylpyrimidine Traditional Name: 2-[3-fluoro-4-[(6S)-6-methyloctoxy]phenyl]-5-octyl-pyrimidine Formula: C27H41FN2O MolecularWeight: 428.625643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C=C2)OCCCCC[C@@H](C)CC)F

InChI

InChI=1S/C27H41FN2O/c1-4-6-7-8-9-12-15-23-20-29-27(30-21-23)24-16-17-26(25(28)19-24)31-18-13-10-11-14-22(3)5-2/h16-17,19-22H,4-15,18H2,1-3H3/t22-/m0/s1