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

Systemtic Name: 2-methyl-3-[2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]propanoic acid Openeye Name: 3-[4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-2-methyl-propanoic acid CAS Name: 3-[4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-6-oxo-1H-pyrimidin-5-yl]-2-methylpropanoic acid IUPAC Name: 3-[4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-2-methylpropanoic acid Traditional Name: 3-[4-hydroxy-6-keto-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-5-yl]-2-methyl-propionic acid Formula: C16H17N3O6S MolecularWeight: 379.38768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O6S/c1-8-3-4-11(19(24)25)6-10(8)7-26-16-17-13(20)12(14(21)18-16)5-9(2)15(22)23/h3-4,6,9H,5,7H2,1-2H3,(H,22,23)(H2,17,18,20,21)