ethyl 6-(4-chlorophenyl)-3-ethyl-2-oxidanylidene-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(4-chlorophenyl)-3-ethyl-2-oxidanylidene-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(4-chlorophenyl)-3-ethyl-2-oxo-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(4-chlorophenyl)-3-ethyl-2-oxo-4-(1-piperazinylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(4-chlorophenyl)-3-ethyl-2-oxo-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(4-chlorophenyl)-3-ethyl-2-keto-4-(piperazinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H27ClN4O3 MolecularWeight: 406.90638

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)Cl)C(=O)OCC)CN3CCNCC3

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)Cl)C(=O)OCC)CN3CCNCC3

InChI

InChI=1S/C20H27ClN4O3/c1-3-25-16(13-24-11-9-22-10-12-24)17(19(26)28-4-2)18(23-20(25)27)14-5-7-15(21)8-6-14/h5-8,18,22H,3-4,9-13H2,1-2H3,(H,23,27)