ethyl 4-[4-(2-chloranylethanoyl)-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-(2-chloranylethanoyl)-3-methyl-piperazin-1-yl]carbonyl-2-methyl-6-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2-chloroacetyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2-chloro-1-oxoethyl)-3-methyl-1-piperazinyl]-oxomethyl]-2-methyl-6-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-chloroacetyl)-3-methylpiperazine-1-carbonyl]-2-methyl-6-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-chloroacetyl)-3-methyl-piperazine-1-carbonyl]-2-methyl-6-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H25ClN4O4 MolecularWeight: 444.9113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)CCl)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C(=O)N2CCN(C(C2)C)C(=O)CCl)C)C3=CC=CC=C3

InChI

InChI=1S/C22H25ClN4O4/c1-4-31-22(30)18-19(16-8-6-5-7-9-16)24-15(3)25-20(18)21(29)26-10-11-27(14(2)13-26)17(28)12-23/h5-9,14H,4,10-13H2,1-3H3