ethyl 6-(2,4-dichlorophenyl)-3-ethyl-4-[(3-methylpiperazin-1-yl)methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(2,4-dichlorophenyl)-3-ethyl-4-[(3-methylpiperazin-1-yl)methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(2,4-dichlorophenyl)-3-ethyl-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2,4-dichlorophenyl)-3-ethyl-4-[(3-methyl-1-piperazinyl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,4-dichlorophenyl)-3-ethyl-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2,4-dichlorophenyl)-3-ethyl-2-keto-4-[(3-methylpiperazino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H28Cl2N4O3 MolecularWeight: 455.37802

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)OCC)CN3CCNC(C3)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)OCC)CN3CCNC(C3)C

InChI

InChI=1S/C21H28Cl2N4O3/c1-4-27-17(12-26-9-8-24-13(3)11-26)18(20(28)30-5-2)19(25-21(27)29)15-7-6-14(22)10-16(15)23/h6-7,10,13,19,24H,4-5,8-9,11-12H2,1-3H3,(H,25,29)