ethyl 4-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-[(4-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-[(4-fluorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H23FN4O4S MolecularWeight: 434.484423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN4O4S/c1-2-29-20(28)25-9-7-24(8-10-25)18(27)12-16-11-17(26)23-19(22-16)30-13-14-3-5-15(21)6-4-14/h3-6,11H,2,7-10,12-13H2,1H3,(H,22,23,26)