6-methyl-4-(oxan-2-ylmethylsulfanyl)-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 6-methyl-4-(oxan-2-ylmethylsulfanyl)-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 6-methyl-2-oxo-4-(tetrahydropyran-2-ylmethylsulfanyl)-1H-pyrimidine-5-carboxylic acid CAS Name: 6-methyl-4-(2-oxanylmethylthio)-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 6-methyl-4-(oxan-2-ylmethylsulfanyl)-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-6-methyl-4-(tetrahydropyran-2-ylmethylthio)-1H-pyrimidine-5-carboxylic acid Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2CCCCO2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2CCCCO2)C(=O)O

InChI

InChI=1S/C12H16N2O4S/c1-7-9(11(15)16)10(14-12(17)13-7)19-6-8-4-2-3-5-18-8/h8H,2-6H2,1H3,(H,15,16)(H,13,14,17)