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

Systemtic Name: ethyl 4-azanyl-2-[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16FN3O4S MolecularWeight: 365.379343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=C(C=CC(=C2)F)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=C(C=CC(=C2)F)OC

InChI

InChI=1S/C16H16FN3O4S/c1-3-24-15(22)11-7-19-16(20-14(11)18)25-8-12(21)10-6-9(17)4-5-13(10)23-2/h4-7H,3,8H2,1-2H3,(H2,18,19,20)