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

Systemtic Name: 2-[2-(4-hexylphenyl)ethynyl]-5-octyl-pyrimidine Openeye Name: 2-[2-(4-hexylphenyl)ethynyl]-5-octyl-pyrimidine CAS Name: 2-[2-(4-hexylphenyl)ethynyl]-5-octylpyrimidine IUPAC Name: 2-[2-(4-hexylphenyl)ethynyl]-5-octylpyrimidine Traditional Name: 2-[2-(4-hexylphenyl)ethynyl]-5-octyl-pyrimidine Formula: C26H36N2 MolecularWeight: 376.57744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCCCC

InChI

InChI=1S/C26H36N2/c1-3-5-7-9-10-12-14-25-21-27-26(28-22-25)20-19-24-17-15-23(16-18-24)13-11-8-6-4-2/h15-18,21-22H,3-14H2,1-2H3