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

Systemtic Name: 2-[2-(4-butylphenyl)ethynyl]-5-ethoxy-pyrimidine Openeye Name: 2-[2-(4-butylphenyl)ethynyl]-5-ethoxy-pyrimidine CAS Name: 2-[2-(4-butylphenyl)ethynyl]-5-ethoxypyrimidine IUPAC Name: 2-[2-(4-butylphenyl)ethynyl]-5-ethoxypyrimidine Traditional Name: 2-[2-(4-butylphenyl)ethynyl]-5-ethoxy-pyrimidine Formula: C18H20N2O MolecularWeight: 280.3642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CC2=NC=C(C=N2)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC2=NC=C(C=N2)OCC

InChI

InChI=1S/C18H20N2O/c1-3-5-6-15-7-9-16(10-8-15)11-12-18-19-13-17(14-20-18)21-4-2/h7-10,13-14H,3-6H2,1-2H3