ethyl 4-azanyl-2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(2-chloro-6-fluoro-phenyl)methoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(2-chloro-6-fluorophenyl)methoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(2-chloro-6-fluorophenyl)methoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(2-chloro-6-fluoro-benzyl)oxy-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H15ClFN3O4S MolecularWeight: 399.824403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C16H15ClFN3O4S/c1-2-24-15(23)9-6-20-16(21-14(9)19)26-8-13(22)25-7-10-11(17)4-3-5-12(10)18/h3-6H,2,7-8H2,1H3,(H2,19,20,21)