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

Systemtic Name: ethyl 3-[6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate Openeye Name: ethyl 3-[6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]propanoate CAS Name: 3-[6-methyl-2-[(2-methyl-5-nitrophenyl)methylthio]-4-oxo-1H-pyrimidin-5-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-methyl-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-4-oxo-1H-pyrimidin-5-yl]propanoate Traditional Name: 3-[4-keto-6-methyl-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-5-yl]propionic acid ethyl ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S/c1-4-26-16(22)8-7-15-12(3)19-18(20-17(15)23)27-10-13-9-14(21(24)25)6-5-11(13)2/h5-6,9H,4,7-8,10H2,1-3H3,(H,19,20,23)