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

Systemtic Name: ethyl 4-azanyl-2-[2-[(4-fluorophenyl)methoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(4-fluorophenyl)methoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(4-fluorophenyl)methoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(4-fluorophenyl)methoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(4-fluorobenzyl)oxy-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)OCC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC2=CC=C(C=C2)F

InChI

InChI=1S/C16H16FN3O4S/c1-2-23-15(22)12-7-19-16(20-14(12)18)25-9-13(21)24-8-10-3-5-11(17)6-4-10/h3-7H,2,8-9H2,1H3,(H2,18,19,20)