4-fluoranyl-5-(4-heptylphenyl)-6-hexoxy-2-phenyl-pyrimidine

Systemtic Name: 4-fluoranyl-5-(4-heptylphenyl)-6-hexoxy-2-phenyl-pyrimidine Openeye Name: 4-fluoro-5-(4-heptylphenyl)-6-hexoxy-2-phenyl-pyrimidine CAS Name: 4-fluoro-5-(4-heptylphenyl)-6-hexoxy-2-phenylpyrimidine IUPAC Name: 4-fluoro-5-(4-heptylphenyl)-6-hexoxy-2-phenylpyrimidine Traditional Name: 4-fluoro-5-(4-heptylphenyl)-6-hexoxy-2-phenyl-pyrimidine Formula: C29H37FN2O MolecularWeight: 448.615283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=C(N=C(N=C2F)C3=CC=CC=C3)OCCCCCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=C(N=C(N=C2F)C3=CC=CC=C3)OCCCCCC

InChI

InChI=1S/C29H37FN2O/c1-3-5-7-9-11-15-23-18-20-24(21-19-23)26-27(30)31-28(25-16-12-10-13-17-25)32-29(26)33-22-14-8-6-4-2/h10,12-13,16-21H,3-9,11,14-15,22H2,1-2H3