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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)CC2=C(C(NC(=O)N2C)C3=CC=CC=C3Cl)C(=O)OCC

Isomeric SMILES

CCC(=O)N1CCN(CC1)CC2=C(C(NC(=O)N2C)C3=CC=CC=C3Cl)C(=O)OCC

InChI

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