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

Systemtic Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-hexyl-pyrimidine Openeye Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-hexyl-pyrimidine CAS Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-hexylpyrimidine IUPAC Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-hexylpyrimidine Traditional Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-hexyl-pyrimidine Formula: C22H28N2O MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O/c1-3-5-7-8-9-20-17-23-22(24-18-20)15-12-19-10-13-21(14-11-19)25-16-6-4-2/h10-11,13-14,17-18H,3-9,16H2,1-2H3