ethyl 3-ethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-[[4-(4-fluorobenzyl)piperazino]methyl]-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H33FN4O3 MolecularWeight: 480.574323

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CN3CCN(CC3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=CC=C2)C(=O)OCC)CN3CCN(CC3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C27H33FN4O3/c1-3-32-23(19-31-16-14-30(15-17-31)18-20-10-12-22(28)13-11-20)24(26(33)35-4-2)25(29-27(32)34)21-8-6-5-7-9-21/h5-13,25H,3-4,14-19H2,1-2H3,(H,29,34)