ethyl 4-ethyl-2-oxidanylidene-6-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-ethyl-2-oxidanylidene-6-[[4-(phenylcarbonyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(4-benzoylpiperazin-1-yl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[(4-benzoyl-1-piperazinyl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-benzoylpiperazin-1-yl)methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(4-benzoylpiperazino)methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN2CCN(CC2)C(=O)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)CN2CCN(CC2)C(=O)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C21H28N4O4/c1-3-16-18(20(27)29-4-2)17(23-21(28)22-16)14-24-10-12-25(13-11-24)19(26)15-8-6-5-7-9-15/h5-9,16H,3-4,10-14H2,1-2H3,(H2,22,23,28)