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

Systemtic Name: 6-methyl-2-oxidanylidene-4-[(5-oxidanyl-4-oxidanylidene-pyran-2-yl)methylsulfanyl]-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-[(5-hydroxy-4-oxo-pyran-2-yl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(5-hydroxy-4-oxo-2-pyranyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-[(5-hydroxy-4-oxopyran-2-yl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[(5-hydroxy-4-keto-pyran-2-yl)methylthio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C12H10N2O6S MolecularWeight: 310.2826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=CC(=O)C(=CO2)O)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=CC(=O)C(=CO2)O)C(=O)O

InChI

InChI=1S/C12H10N2O6S/c1-5-9(11(17)18)10(14-12(19)13-5)21-4-6-2-7(15)8(16)3-20-6/h2-3,16H,4H2,1H3,(H,17,18)(H,13,14,19)