2-[2-(4-butoxyphenyl)ethynyl]-5-octyl-pyrimidine

Systemtic Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-octyl-pyrimidine Openeye Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-octyl-pyrimidine CAS Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-octylpyrimidine IUPAC Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-octylpyrimidine Traditional Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-octyl-pyrimidine Formula: C24H32N2O MolecularWeight: 364.52368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C24H32N2O/c1-3-5-7-8-9-10-11-22-19-25-24(26-20-22)17-14-21-12-15-23(16-13-21)27-18-6-4-2/h12-13,15-16,19-20H,3-11,18H2,1-2H3