[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-2-thiophenecarboxylic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 5-(4-fluorophenyl)thiophene-2-carboxylate Traditional Name: 5-(4-fluorophenyl)thiophene-2-carboxylic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C21H19FN4O3S MolecularWeight: 426.463963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=CC=C(S3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C3=CC=C(S3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN4O3S/c22-16-4-2-15(3-5-16)17-6-7-18(30-17)20(28)29-14-19(27)25-10-12-26(13-11-25)21-23-8-1-9-24-21/h1-9H,10-14H2