ethyl 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-6-oxidanylidene-2-(phenylmethylsulfanyl)pyrimidine-5-carboxylate Openeye Name: ethyl 2-benzylsulfanyl-1-[(2-chloro-6-fluoro-phenyl)methyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 1-[(2-chloro-6-fluorophenyl)methyl]-6-oxo-2-(phenylmethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzylsulfanyl-1-[(2-chloro-6-fluorophenyl)methyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-1-(2-chloro-6-fluoro-benzyl)-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H18ClFN2O3S MolecularWeight: 432.895623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC2=C(C=CC=C2Cl)F)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=C(C=CC=C2Cl)F)SCC3=CC=CC=C3

InChI

InChI=1S/C21H18ClFN2O3S/c1-2-28-20(27)15-11-24-21(29-13-14-7-4-3-5-8-14)25(19(15)26)12-16-17(22)9-6-10-18(16)23/h3-11H,2,12-13H2,1H3