(5-fluoranyl-2-nitro-phenyl) 3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]propanoate

Systemtic Name: (5-fluoranyl-2-nitro-phenyl) 3-[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]propanoate Openeye Name: (5-fluoro-2-nitro-phenyl) 3-[2-(2-amino-2-oxo-ethyl)sulfanyl-4,6-dimethyl-pyrimidin-5-yl]propanoate CAS Name: 3-[2-[(2-amino-2-oxoethyl)thio]-4,6-dimethyl-5-pyrimidinyl]propanoic acid (5-fluoro-2-nitrophenyl) ester IUPAC Name: (5-fluoro-2-nitrophenyl) 3-[2-(2-amino-2-oxoethyl)sulfanyl-4,6-dimethylpyrimidin-5-yl]propanoate Traditional Name: 3-[2-[(2-amino-2-keto-ethyl)thio]-4,6-dimethyl-pyrimidin-5-yl]propionic acid (5-fluoro-2-nitro-phenyl) ester Formula: C17H17FN4O5S MolecularWeight: 408.404083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC(=O)N)C)CCC(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC(=O)N)C)CCC(=O)OC2=C(C=CC(=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C17H17FN4O5S/c1-9-12(10(2)21-17(20-9)28-8-15(19)23)4-6-16(24)27-14-7-11(18)3-5-13(14)22(25)26/h3,5,7H,4,6,8H2,1-2H3,(H2,19,23)