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

Systemtic Name: 5-butoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine Openeye Name: 5-butoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine CAS Name: 5-butoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine IUPAC Name: 5-butoxy-2-[2-(4-pentylphenyl)ethynyl]pyrimidine Traditional Name: 2-[2-(4-amylphenyl)ethynyl]-5-butoxy-pyrimidine Formula: C21H26N2O MolecularWeight: 322.44394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=N2)OCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=N2)OCCCC

InChI

InChI=1S/C21H26N2O/c1-3-5-7-8-18-9-11-19(12-10-18)13-14-21-22-16-20(17-23-21)24-15-6-4-2/h9-12,16-17H,3-8,15H2,1-2H3