5-octoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine

Systemtic Name: 5-octoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine Openeye Name: 5-octoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine CAS Name: 5-octoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine IUPAC Name: 5-octoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine Traditional Name: 2-[2-(4-amylphenyl)ethynyl]-5-octoxy-pyrimidine Formula: C25H34N2O MolecularWeight: 378.55026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCCC

InChI

InChI=1S/C25H34N2O/c1-3-5-7-8-9-11-19-28-24-20-26-25(27-21-24)18-17-23-15-13-22(14-16-23)12-10-6-4-2/h13-16,20-21H,3-12,19H2,1-2H3