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

Systemtic Name: 2-[2-(4-hexylphenyl)ethynyl]-5-pentyl-pyrimidine Openeye Name: 2-[2-(4-hexylphenyl)ethynyl]-5-pentyl-pyrimidine CAS Name: 2-[2-(4-hexylphenyl)ethynyl]-5-pentylpyrimidine IUPAC Name: 2-[2-(4-hexylphenyl)ethynyl]-5-pentylpyrimidine Traditional Name: 5-amyl-2-[2-(4-hexylphenyl)ethynyl]pyrimidine Formula: C23H30N2 MolecularWeight: 334.4977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2/c1-3-5-7-9-10-20-12-14-21(15-13-20)16-17-23-24-18-22(19-25-23)11-8-6-4-2/h12-15,18-19H,3-11H2,1-2H3