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

Systemtic Name: ethyl 4-[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[2-[(4-fluorophenyl)methylthio]-4-oxo-1H-pyrimidin-6-yl]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-6-yl]acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[2-[(4-fluorobenzyl)thio]-4-keto-1H-pyrimidin-6-yl]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H25FN4O4S MolecularWeight: 448.511003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CC2=CC(=O)N=C(N2)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H25FN4O4S/c1-2-30-21(29)26-9-7-16(8-10-26)23-18(27)11-17-12-19(28)25-20(24-17)31-13-14-3-5-15(22)6-4-14/h3-6,12,16H,2,7-11,13H2,1H3,(H,23,27)(H,24,25,28)