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

Systemtic Name: ethyl 4-[(4-chlorophenyl)methyl-(2-cyanoethyl)amino]-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)methyl-(2-cyanoethyl)amino]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[(4-chlorophenyl)methyl-(2-cyanoethyl)amino]-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)methyl-(2-cyanoethyl)amino]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[(4-chlorobenzyl)-(2-cyanoethyl)amino]-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H21ClN4O2 MolecularWeight: 420.89144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N(CCC#N)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N(CCC#N)CC2=CC=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C23H21ClN4O2/c1-2-30-23(29)20-15-26-21(18-7-4-3-5-8-18)27-22(20)28(14-6-13-25)16-17-9-11-19(24)12-10-17/h3-5,7-12,15H,2,6,14,16H2,1H3