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

Systemtic Name: 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]propanoic acid CAS Name: 3-[4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-6-oxo-1H-pyrimidin-5-yl]propanoic acid IUPAC Name: 3-[4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]propanoic acid Traditional Name: 3-[4-hydroxy-6-keto-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-5-yl]propionic acid Formula: C15H15N3O6S MolecularWeight: 365.3611

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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)CCC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O6S/c1-8-2-3-10(18(23)24)6-9(8)7-25-15-16-13(21)11(14(22)17-15)4-5-12(19)20/h2-3,6H,4-5,7H2,1H3,(H,19,20)(H2,16,17,21,22)