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

Systemtic Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-pentyl-pyrimidine Openeye Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-pentyl-pyrimidine CAS Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-pentylpyrimidine IUPAC Name: 2-[2-(4-butoxyphenyl)ethynyl]-5-pentylpyrimidine Traditional Name: 5-amyl-2-[2-(4-butoxyphenyl)ethynyl]pyrimidine Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCCC1=CN=C(N=C1)C#CC2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C21H26N2O/c1-3-5-7-8-19-16-22-21(23-17-19)14-11-18-9-12-20(13-10-18)24-15-6-4-2/h9-10,12-13,16-17H,3-8,15H2,1-2H3