2-oxidanylidene-6-(sulfanylmethyl)-1,3-diazinane-4-carboxylic acid

Systemtic Name: 2-oxidanylidene-6-(sulfanylmethyl)-1,3-diazinane-4-carboxylic acid Openeye Name: 2-oxo-6-(sulfanylmethyl)hexahydropyrimidine-4-carboxylic acid CAS Name: 6-(mercaptomethyl)-2-oxo-1,3-diazinane-4-carboxylic acid IUPAC Name: 2-oxo-6-(sulfanylmethyl)-1,3-diazinane-4-carboxylic acid Traditional Name: 2-keto-6-(mercaptomethyl)hexahydropyrimidine-4-carboxylic acid Formula: C6H10N2O3S MolecularWeight: 190.2202

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=O)NC1C(=O)O)CS

Isomeric SMILES

C1C(NC(=O)NC1C(=O)O)CS

InChI

InChI=1S/C6H10N2O3S/c9-5(10)4-1-3(2-12)7-6(11)8-4/h3-4,12H,1-2H2,(H,9,10)(H2,7,8,11)