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

Systemtic Name: ethyl 4-ethyl-6-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-ethyl-6-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-ethyl-6-[[4-[(2-fluorophenyl)methyl]-1-piperazinyl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-6-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-ethyl-6-[[4-(2-fluorobenzyl)piperazino]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H29FN4O3 MolecularWeight: 404.478363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN2CCN(CC2)CC3=CC=CC=C3F)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)CN2CCN(CC2)CC3=CC=CC=C3F)C(=O)OCC

InChI

InChI=1S/C21H29FN4O3/c1-3-17-19(20(27)29-4-2)18(24-21(28)23-17)14-26-11-9-25(10-12-26)13-15-7-5-6-8-16(15)22/h5-8,17H,3-4,9-14H2,1-2H3,(H2,23,24,28)