ethyl 4-[2-cyanoethyl(phenethyl)amino]-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-cyanoethyl(phenethyl)amino]-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-cyanoethyl(phenethyl)amino]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[2-cyanoethyl(phenethyl)amino]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-cyanoethyl(phenethyl)amino]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[2-cyanoethyl(phenethyl)amino]-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N(CCC#N)CCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N(CCC#N)CCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H24N4O2/c1-2-30-24(29)21-18-26-22(20-12-7-4-8-13-20)27-23(21)28(16-9-15-25)17-14-19-10-5-3-6-11-19/h3-8,10-13,18H,2,9,14,16-17H2,1H3