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

Systemtic Name: 2-[2-(4-butylphenyl)ethynyl]-5-pentoxy-pyrimidine Openeye Name: 2-[2-(4-butylphenyl)ethynyl]-5-pentoxy-pyrimidine CAS Name: 2-[2-(4-butylphenyl)ethynyl]-5-pentoxypyrimidine IUPAC Name: 2-[2-(4-butylphenyl)ethynyl]-5-pentoxypyrimidine Traditional Name: 5-amoxy-2-[2-(4-butylphenyl)ethynyl]pyrimidine Formula: C21H26N2O MolecularWeight: 322.44394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCC

Isomeric SMILES

CCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCC

InChI

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