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

Systemtic Name: 2-[2-(4-butylphenyl)ethynyl]-5-chloranyl-pyrimidine Openeye Name: 2-[2-(4-butylphenyl)ethynyl]-5-chloro-pyrimidine CAS Name: 2-[2-(4-butylphenyl)ethynyl]-5-chloropyrimidine IUPAC Name: 2-[2-(4-butylphenyl)ethynyl]-5-chloropyrimidine Traditional Name: 2-[2-(4-butylphenyl)ethynyl]-5-chloro-pyrimidine Formula: C16H15ClN2 MolecularWeight: 270.7567

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CC2=NC=C(C=N2)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC2=NC=C(C=N2)Cl

InChI

InChI=1S/C16H15ClN2/c1-2-3-4-13-5-7-14(8-6-13)9-10-16-18-11-15(17)12-19-16/h5-8,11-12H,2-4H2,1H3