5-bromanyl-2-[2-(4-octoxyphenyl)ethynyl]pyrimidine

Systemtic Name: 5-bromanyl-2-[2-(4-octoxyphenyl)ethynyl]pyrimidine Openeye Name: 5-bromo-2-[2-(4-octoxyphenyl)ethynyl]pyrimidine CAS Name: 5-bromo-2-[2-(4-octoxyphenyl)ethynyl]pyrimidine IUPAC Name: 5-bromo-2-[2-(4-octoxyphenyl)ethynyl]pyrimidine Traditional Name: 5-bromo-2-[2-(4-octoxyphenyl)ethynyl]pyrimidine Formula: C20H23BrN2O MolecularWeight: 387.31342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C#CC2=NC=C(C=N2)Br

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C#CC2=NC=C(C=N2)Br

InChI

InChI=1S/C20H23BrN2O/c1-2-3-4-5-6-7-14-24-19-11-8-17(9-12-19)10-13-20-22-15-18(21)16-23-20/h8-9,11-12,15-16H,2-7,14H2,1H3