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

Systemtic Name: ethyl (4S)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[4-(4-fluorophenyl)piperazino]methyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H25FN4O3S MolecularWeight: 444.522303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CN3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CS2)CN3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H25FN4O3S/c1-2-30-21(28)19-17(24-22(29)25-20(19)18-4-3-13-31-18)14-26-9-11-27(12-10-26)16-7-5-15(23)6-8-16/h3-8,13,20H,2,9-12,14H2,1H3,(H2,24,25,29)/t20-/m1/s1