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

Systemtic Name: ethyl (4S)-6-[[4-(4-fluorophenyl)carbonylpiperazin-1-yl]methyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[4-(4-fluorobenzoyl)piperazin-1-yl]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[4-(4-fluorobenzoyl)piperazino]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25FN4O4 MolecularWeight: 404.435303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H25FN4O4/c1-3-29-19(27)17-13(2)22-20(28)23-16(17)12-24-8-10-25(11-9-24)18(26)14-4-6-15(21)7-5-14/h4-7,13H,3,8-12H2,1-2H3,(H2,22,23,28)/t13-/m0/s1