ethyl 2-phenyl-6-(2-phenylethynyl)pyrimidine-4-carboxylate

Systemtic Name: ethyl 2-phenyl-6-(2-phenylethynyl)pyrimidine-4-carboxylate Openeye Name: ethyl 2-phenyl-6-(2-phenylethynyl)pyrimidine-4-carboxylate CAS Name: 2-phenyl-6-(2-phenylethynyl)-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-phenyl-6-(2-phenylethynyl)pyrimidine-4-carboxylate Traditional Name: 2-phenyl-6-(2-phenylethynyl)pyrimidine-4-carboxylic acid ethyl ester Formula: C21H16N2O2 MolecularWeight: 328.36394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=NC(=C1)C#CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=NC(=NC(=C1)C#CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H16N2O2/c1-2-25-21(24)19-15-18(14-13-16-9-5-3-6-10-16)22-20(23-19)17-11-7-4-8-12-17/h3-12,15H,2H2,1H3