ethyl 4-[4-[2,2-bis(chloranyl)ethanoyl]-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[4-[2,2-bis(chloranyl)ethanoyl]-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[4-(2,2-dichloroacetyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2,2-dichloro-1-oxoethyl)-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,2-dichloroacetyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2,2-dichloroacetyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H24Cl2N4O4 MolecularWeight: 479.35636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C(Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C(Cl)Cl

InChI

InChI=1S/C22H24Cl2N4O4/c1-4-32-22(31)16-14(3)25-19(15-8-6-5-7-9-15)26-17(16)20(29)27-10-11-28(13(2)12-27)21(30)18(23)24/h5-9,13,18H,4,10-12H2,1-3H3