4-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-butoxy-2-oxo-ethyl)sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-butoxy-2-oxoethyl)thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-butoxy-2-oxoethyl)sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-butoxy-2-keto-ethyl)thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H20N2O4S MolecularWeight: 312.3846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC(=NC(=C1C(=O)O)C)CC

Isomeric SMILES

CCCCOC(=O)CSC1=NC(=NC(=C1C(=O)O)C)CC

InChI

InChI=1S/C14H20N2O4S/c1-4-6-7-20-11(17)8-21-13-12(14(18)19)9(3)15-10(5-2)16-13/h4-8H2,1-3H3,(H,18,19)