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

Systemtic Name: ethyl 6-(3-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-(3-chlorophenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[(4-acetyl-1-piperazinyl)methyl]-6-(3-chlorophenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-acetylpiperazin-1-yl)methyl]-6-(3-chlorophenyl)-3-ethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[(4-acetylpiperazino)methyl]-6-(3-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(=CC=C2)Cl)C(=O)OCC)CN3CCN(CC3)C(=O)C

Isomeric SMILES

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

InChI

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