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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)CCCC

InChI

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