ethyl 3-[2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]propanoate

Systemtic Name: ethyl 3-[2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]propanoate Openeye Name: ethyl 3-[4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-6-oxo-1H-pyrimidin-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[4-hydroxy-6-keto-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-5-yl]propionic acid ethyl ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N=C(NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)O

Isomeric SMILES

CCOC(=O)CCC1=C(N=C(NC1=O)SCC2=C(C=CC(=C2)[N+](=O)[O-])C)O

InChI

InChI=1S/C17H19N3O6S/c1-3-26-14(21)7-6-13-15(22)18-17(19-16(13)23)27-9-11-8-12(20(24)25)5-4-10(11)2/h4-5,8H,3,6-7,9H2,1-2H3,(H2,18,19,22,23)