ethyl 2-[[6-acetamido-5-[(4-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[6-acetamido-5-[(4-fluorophenyl)carbonylamino]-4-oxidanylidene-1H-pyrimidin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[6-acetamido-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-acetamido-5-[[(4-fluorophenyl)-oxomethyl]amino]-4-oxo-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-acetamido-5-[(4-fluorobenzoyl)amino]-4-oxo-1H-pyrimidin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-acetamido-5-[(4-fluorobenzoyl)amino]-4-keto-1H-pyrimidin-2-yl]thio]acetic acid ethyl ester Formula: C17H17FN4O5S MolecularWeight: 408.404083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)CSC1=NC(=O)C(=C(N1)NC(=O)C)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H17FN4O5S/c1-3-27-12(24)8-28-17-21-14(19-9(2)23)13(16(26)22-17)20-15(25)10-4-6-11(18)7-5-10/h4-7H,3,8H2,1-2H3,(H,20,25)(H2,19,21,22,23,26)