methyl 1-[2-[2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[2-[(2-fluorophenyl)methylthio]-6-methyl-4-oxo-1H-pyrimidin-5-yl]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-4-oxo-1H-pyrimidin-5-yl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[2-[(2-fluorobenzyl)thio]-4-keto-6-methyl-1H-pyrimidin-5-yl]acetyl]isonipecotic acid methyl ester Formula: C21H24FN3O4S MolecularWeight: 433.496363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2F)CC(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2F)CC(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C21H24FN3O4S/c1-13-16(11-18(26)25-9-7-14(8-10-25)20(28)29-2)19(27)24-21(23-13)30-12-15-5-3-4-6-17(15)22/h3-6,14H,7-12H2,1-2H3,(H,23,24,27)