6-methyl-4-[(5-nitrofuran-2-yl)methylsulfanyl]-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-[(5-nitrofuran-2-yl)methylsulfanyl]-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-4-[(5-nitro-2-furyl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-[(5-nitro-2-furanyl)methylthio]-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-[(5-nitrofuran-2-yl)methylsulfanyl]-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-6-methyl-4-[(5-nitro-2-furyl)methylthio]-1H-pyrimidine-5-carboxylic acid Formula: C11H9N3O6S MolecularWeight: 311.27066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=CC=C(O2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=CC=C(O2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H9N3O6S/c1-5-8(10(15)16)9(13-11(17)12-5)21-4-6-2-3-7(20-6)14(18)19/h2-3H,4H2,1H3,(H,15,16)(H,12,13,17)