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

Systemtic Name: ethyl 6-(3,4-dichlorophenyl)-3-ethyl-2-oxidanylidene-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3,4-dichlorophenyl)-3-ethyl-2-oxo-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3,4-dichlorophenyl)-3-ethyl-2-oxo-4-(1-piperazinylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3,4-dichlorophenyl)-3-ethyl-2-oxo-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3,4-dichlorophenyl)-3-ethyl-2-keto-4-(piperazinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H26Cl2N4O3 MolecularWeight: 441.35144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26Cl2N4O3/c1-3-26-16(12-25-9-7-23-8-10-25)17(19(27)29-4-2)18(24-20(26)28)13-5-6-14(21)15(22)11-13/h5-6,11,18,23H,3-4,7-10,12H2,1-2H3,(H,24,28)