2-[2-(4-hexylphenyl)ethynyl]-5-propoxy-pyrimidine

Systemtic Name: 2-[2-(4-hexylphenyl)ethynyl]-5-propoxy-pyrimidine Openeye Name: 2-[2-(4-hexylphenyl)ethynyl]-5-propoxy-pyrimidine CAS Name: 2-[2-(4-hexylphenyl)ethynyl]-5-propoxypyrimidine IUPAC Name: 2-[2-(4-hexylphenyl)ethynyl]-5-propoxypyrimidine Traditional Name: 2-[2-(4-hexylphenyl)ethynyl]-5-propoxy-pyrimidine Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=N2)OCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=N2)OCCC

InChI

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