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

Systemtic Name: 5-butyl-2-[2-(4-pentylphenyl)ethynyl]pyrimidine Openeye Name: 5-butyl-2-[2-(4-pentylphenyl)ethynyl]pyrimidine CAS Name: 5-butyl-2-[2-(4-pentylphenyl)ethynyl]pyrimidine IUPAC Name: 5-butyl-2-[2-(4-pentylphenyl)ethynyl]pyrimidine Traditional Name: 2-[2-(4-amylphenyl)ethynyl]-5-butyl-pyrimidine Formula: C21H26N2 MolecularWeight: 306.44454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=N2)CCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C#CC2=NC=C(C=N2)CCCC

InChI

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