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

Systemtic Name: 5-octyl-2-[2-(4-pentylphenyl)ethynyl]pyrimidine Openeye Name: 5-octyl-2-[2-(4-pentylphenyl)ethynyl]pyrimidine CAS Name: 5-octyl-2-[2-(4-pentylphenyl)ethynyl]pyrimidine IUPAC Name: 5-octyl-2-[2-(4-pentylphenyl)ethynyl]pyrimidine Traditional Name: 2-[2-(4-amylphenyl)ethynyl]-5-octyl-pyrimidine Formula: C25H34N2 MolecularWeight: 362.55086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2/c1-3-5-7-8-9-11-13-24-20-26-25(27-21-24)19-18-23-16-14-22(15-17-23)12-10-6-4-2/h14-17,20-21H,3-13H2,1-2H3