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

Systemtic Name: 5-butyl-2-[2-(4-hexylphenyl)ethynyl]pyrimidine Openeye Name: 5-butyl-2-[2-(4-hexylphenyl)ethynyl]pyrimidine CAS Name: 5-butyl-2-[2-(4-hexylphenyl)ethynyl]pyrimidine IUPAC Name: 5-butyl-2-[2-(4-hexylphenyl)ethynyl]pyrimidine Traditional Name: 5-butyl-2-[2-(4-hexylphenyl)ethynyl]pyrimidine Formula: C22H28N2 MolecularWeight: 320.47112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2/c1-3-5-7-8-10-19-11-13-20(14-12-19)15-16-22-23-17-21(18-24-22)9-6-4-2/h11-14,17-18H,3-10H2,1-2H3