ethyl 4-[butyl(cyanomethyl)amino]-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[butyl(cyanomethyl)amino]-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[butyl(cyanomethyl)amino]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[butyl(cyanomethyl)amino]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[butyl(cyanomethyl)amino]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[butyl(cyanomethyl)amino]-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H22N4O2 MolecularWeight: 338.40358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC#N)C1=NC(=NC=C1C(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCCCN(CC#N)C1=NC(=NC=C1C(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C19H22N4O2/c1-3-5-12-23(13-11-20)18-16(19(24)25-4-2)14-21-17(22-18)15-9-7-6-8-10-15/h6-10,14H,3-5,12-13H2,1-2H3