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

Systemtic Name: ethyl 6-(3-chlorophenyl)-3-ethyl-4-[(3-methylpiperazin-1-yl)methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3-chlorophenyl)-3-ethyl-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chlorophenyl)-3-ethyl-4-[(3-methyl-1-piperazinyl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-chlorophenyl)-3-ethyl-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-chlorophenyl)-3-ethyl-2-keto-4-[(3-methylpiperazino)methyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H29ClN4O3 MolecularWeight: 420.93296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29ClN4O3/c1-4-26-17(13-25-10-9-23-14(3)12-25)18(20(27)29-5-2)19(24-21(26)28)15-7-6-8-16(22)11-15/h6-8,11,14,19,23H,4-5,9-10,12-13H2,1-3H3,(H,24,28)