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

Systemtic Name: ethyl 6-(4-chlorophenyl)-4-[(4-ethanoylpiperazin-1-yl)methyl]-3-ethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-6-(4-chlorophenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-acetyl-1-piperazinyl)methyl]-6-(4-chlorophenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-6-(4-chlorophenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-acetylpiperazino)methyl]-6-(4-chlorophenyl)-3-ethyl-2-keto-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H29ClN4O4 MolecularWeight: 448.94306

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)Cl)C(=O)OCC)CN3CCN(CC3)C(=O)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=C(C=C2)Cl)C(=O)OCC)CN3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H29ClN4O4/c1-4-27-18(14-25-10-12-26(13-11-25)15(3)28)19(21(29)31-5-2)20(24-22(27)30)16-6-8-17(23)9-7-16/h6-9,20H,4-5,10-14H2,1-3H3,(H,24,30)