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

Systemtic Name: 2-[2-(4-hexylphenyl)ethynyl]-5-octoxy-pyrimidine Openeye Name: 2-[2-(4-hexylphenyl)ethynyl]-5-octoxy-pyrimidine CAS Name: 2-[2-(4-hexylphenyl)ethynyl]-5-octoxypyrimidine IUPAC Name: 2-[2-(4-hexylphenyl)ethynyl]-5-octoxypyrimidine Traditional Name: 2-[2-(4-hexylphenyl)ethynyl]-5-octoxy-pyrimidine Formula: C26H36N2O MolecularWeight: 392.57684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCCCC

InChI

InChI=1S/C26H36N2O/c1-3-5-7-9-10-12-20-29-25-21-27-26(28-22-25)19-18-24-16-14-23(15-17-24)13-11-8-6-4-2/h14-17,21-22H,3-13,20H2,1-2H3