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

Systemtic Name: ethyl 4-azanyl-2-[2-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethoxy]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-(4-bromo-2-fluoro-anilino)-2-oxo-ethoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-(4-bromo-2-fluoroanilino)-2-oxoethoxy]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[2-(4-bromo-2-fluoro-anilino)-2-keto-ethoxy]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H16BrFN4O5S MolecularWeight: 487.300143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C17H16BrFN4O5S/c1-2-27-16(26)10-6-21-17(23-15(10)20)29-8-14(25)28-7-13(24)22-12-4-3-9(18)5-11(12)19/h3-6H,2,7-8H2,1H3,(H,22,24)(H2,20,21,23)