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

Systemtic Name: ethyl 3-ethyl-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-oxidanylidene-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-oxo-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-2-oxo-6-(3-thiophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-oxo-6-thiophen-3-yl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-[[4-(2-fluorophenyl)piperazino]methyl]-2-keto-6-(3-thienyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C24H29FN4O3S MolecularWeight: 472.575463

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CSC=C2)C(=O)OCC)CN3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C24H29FN4O3S/c1-3-29-20(15-27-10-12-28(13-11-27)19-8-6-5-7-18(19)25)21(23(30)32-4-2)22(26-24(29)31)17-9-14-33-16-17/h5-9,14,16,22H,3-4,10-13,15H2,1-2H3,(H,26,31)