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

Systemtic Name: 2-[2-(4-butylphenyl)ethynyl]-5-pentyl-pyrimidine Openeye Name: 2-[2-(4-butylphenyl)ethynyl]-5-pentyl-pyrimidine CAS Name: 2-[2-(4-butylphenyl)ethynyl]-5-pentylpyrimidine IUPAC Name: 2-[2-(4-butylphenyl)ethynyl]-5-pentylpyrimidine Traditional Name: 5-amyl-2-[2-(4-butylphenyl)ethynyl]pyrimidine Formula: C21H26N2 MolecularWeight: 306.44454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2/c1-3-5-7-9-20-16-22-21(23-17-20)15-14-19-12-10-18(11-13-19)8-6-4-2/h10-13,16-17H,3-9H2,1-2H3