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

Systemtic Name: methyl 3-[6-methyl-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanylidene-1H-pyrimidin-5-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)C(=C(N2)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])CSC2=NC(=O)C(=C(N2)C)CCC(=O)OC

InChI

InChI=1S/C17H19N3O5S/c1-10-4-5-13(20(23)24)8-12(10)9-26-17-18-11(2)14(16(22)19-17)6-7-15(21)25-3/h4-5,8H,6-7,9H2,1-3H3,(H,18,19,22)