6-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-tert-butoxy-2-oxo-ethyl)sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 4-[(2-tert-butoxy-2-keto-ethyl)thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C12H16N2O5S/c1-6-8(10(16)17)9(14-11(18)13-6)20-5-7(15)19-12(2,3)4/h5H2,1-4H3,(H,16,17)(H,13,14,18)