4-ethyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-ethyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-ethyl-2-methylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-ethyl-2-(methylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 4-ethyl-2-methylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-ethyl-2-(methylthio)pyrimidine-5-carboxylic acid Formula: C8H10N2O2S MolecularWeight: 198.2422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NC=C1C(=O)O)SC

Isomeric SMILES

CCC1=NC(=NC=C1C(=O)O)SC

InChI

InChI=1S/C8H10N2O2S/c1-3-6-5(7(11)12)4-9-8(10-6)13-2/h4H,3H2,1-2H3,(H,11,12)