2-[2-(4-bromophenyl)ethynyl]-5-octoxy-pyrimidine

Systemtic Name: 2-[2-(4-bromophenyl)ethynyl]-5-octoxy-pyrimidine Openeye Name: 2-[2-(4-bromophenyl)ethynyl]-5-octoxy-pyrimidine CAS Name: 2-[2-(4-bromophenyl)ethynyl]-5-octoxypyrimidine IUPAC Name: 2-[2-(4-bromophenyl)ethynyl]-5-octoxypyrimidine Traditional Name: 2-[2-(4-bromophenyl)ethynyl]-5-octoxy-pyrimidine Formula: C20H23BrN2O MolecularWeight: 387.31342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCCCCOC1=CN=C(N=C1)C#CC2=CC=C(C=C2)Br

InChI

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