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

Systemtic Name: 2-[2-(4-butylphenyl)ethynyl]-5-octyl-pyrimidine Openeye Name: 2-[2-(4-butylphenyl)ethynyl]-5-octyl-pyrimidine CAS Name: 2-[2-(4-butylphenyl)ethynyl]-5-octylpyrimidine IUPAC Name: 2-[2-(4-butylphenyl)ethynyl]-5-octylpyrimidine Traditional Name: 2-[2-(4-butylphenyl)ethynyl]-5-octyl-pyrimidine Formula: C24H32N2 MolecularWeight: 348.52428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N2/c1-3-5-7-8-9-10-12-23-19-25-24(26-20-23)18-17-22-15-13-21(14-16-22)11-6-4-2/h13-16,19-20H,3-12H2,1-2H3