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

Systemtic Name: ethyl (4S)-4-ethyl-6-[[4-(2-fluorophenyl)carbonylpiperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-ethyl-6-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-ethyl-6-[[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-ethyl-6-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-ethyl-6-[[4-(2-fluorobenzoyl)piperazino]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H27FN4O4 MolecularWeight: 418.461883

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN2CCN(CC2)C(=O)C3=CC=CC=C3F)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CN2CCN(CC2)C(=O)C3=CC=CC=C3F)C(=O)OCC

InChI

InChI=1S/C21H27FN4O4/c1-3-16-18(20(28)30-4-2)17(24-21(29)23-16)13-25-9-11-26(12-10-25)19(27)14-7-5-6-8-15(14)22/h5-8,16H,3-4,9-13H2,1-2H3,(H2,23,24,29)/t16-/m0/s1