2-[4-(9-fluoranylundecyl)phenyl]-5-hexoxy-pyrimidine

Systemtic Name: 2-[4-(9-fluoranylundecyl)phenyl]-5-hexoxy-pyrimidine Openeye Name: 2-[4-(9-fluoroundecyl)phenyl]-5-hexoxy-pyrimidine CAS Name: 2-[4-(9-fluoroundecyl)phenyl]-5-hexoxypyrimidine IUPAC Name: 2-[4-(9-fluoroundecyl)phenyl]-5-hexoxypyrimidine Traditional Name: 2-[4-(9-fluoroundecyl)phenyl]-5-hexoxy-pyrimidine Formula: C27H41FN2O MolecularWeight: 428.625643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCCCCC(CC)F

Isomeric SMILES

CCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCCCCC(CC)F

InChI

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