ethyl 2-butyl-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-butyl-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-butyl-4-oxo-6-phenyl-1H-pyrimidine-5-carboxylate CAS Name: 2-butyl-4-oxo-6-phenyl-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-butyl-4-oxo-6-phenyl-1H-pyrimidine-5-carboxylate Traditional Name: 2-butyl-4-keto-6-phenyl-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N2O3 MolecularWeight: 300.3523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCC1=NC(=O)C(=C(N1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C17H20N2O3/c1-3-5-11-13-18-15(12-9-7-6-8-10-12)14(16(20)19-13)17(21)22-4-2/h6-10H,3-5,11H2,1-2H3,(H,18,19,20)