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

Systemtic Name: 2-[2-(4-hexylphenyl)ethynyl]-5-methyl-pyrimidine Openeye Name: 2-[2-(4-hexylphenyl)ethynyl]-5-methyl-pyrimidine CAS Name: 2-[2-(4-hexylphenyl)ethynyl]-5-methylpyrimidine IUPAC Name: 2-[2-(4-hexylphenyl)ethynyl]-5-methylpyrimidine Traditional Name: 2-[2-(4-hexylphenyl)ethynyl]-5-methyl-pyrimidine Formula: C19H22N2 MolecularWeight: 278.39138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=N2)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=N2)C

InChI

InChI=1S/C19H22N2/c1-3-4-5-6-7-17-8-10-18(11-9-17)12-13-19-20-14-16(2)15-21-19/h8-11,14-15H,3-7H2,1-2H3