4-(4-methoxy-4-oxidanylidene-butyl)sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(4-methoxy-4-oxidanylidene-butyl)sulfanyl-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 4-(4-methoxy-4-oxo-butyl)sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 4-[(4-methoxy-4-oxobutyl)thio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 4-(4-methoxy-4-oxobutyl)sulfanyl-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-keto-4-[(4-keto-4-methoxy-butyl)thio]-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C11H14N2O5S MolecularWeight: 286.30426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O5S/c1-6-8(10(15)16)9(13-11(17)12-6)19-5-3-4-7(14)18-2/h3-5H2,1-2H3,(H,15,16)(H,12,13,17)