2-[2-(4-butylphenyl)ethynyl]-5-heptyl-pyrimidine

Systemtic Name: 2-[2-(4-butylphenyl)ethynyl]-5-heptyl-pyrimidine Openeye Name: 2-[2-(4-butylphenyl)ethynyl]-5-heptyl-pyrimidine CAS Name: 2-[2-(4-butylphenyl)ethynyl]-5-heptylpyrimidine IUPAC Name: 2-[2-(4-butylphenyl)ethynyl]-5-heptylpyrimidine Traditional Name: 2-[2-(4-butylphenyl)ethynyl]-5-heptyl-pyrimidine Formula: C23H30N2 MolecularWeight: 334.4977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCC

InChI

InChI=1S/C23H30N2/c1-3-5-7-8-9-11-22-18-24-23(25-19-22)17-16-21-14-12-20(13-15-21)10-6-4-2/h12-15,18-19H,3-11H2,1-2H3