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

Systemtic Name: 2-[2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[4-hydroxy-2-[(2-methyl-5-nitro-phenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]acetic acid CAS Name: 2-[4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylthio]-6-oxo-1H-pyrimidin-5-yl]acetic acid IUPAC Name: 2-[4-hydroxy-2-[(2-methyl-5-nitrophenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]acetic acid Traditional Name: 2-[4-hydroxy-6-keto-2-[(2-methyl-5-nitro-benzyl)thio]-1H-pyrimidin-5-yl]acetic acid Formula: C14H13N3O6S MolecularWeight: 351.33452

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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(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O6S/c1-7-2-3-9(17(22)23)4-8(7)6-24-14-15-12(20)10(5-11(18)19)13(21)16-14/h2-4H,5-6H2,1H3,(H,18,19)(H2,15,16,20,21)