2-(carbamothioylamino)-4,6-dimethyl-pyridine-3-carboxylic acid

Systemtic Name: 2-(carbamothioylamino)-4,6-dimethyl-pyridine-3-carboxylic acid Openeye Name: 2-(carbamothioylamino)-4,6-dimethyl-pyridine-3-carboxylic acid CAS Name: 2-(carbamothioylamino)-4,6-dimethyl-3-pyridinecarboxylic acid IUPAC Name: 2-(carbamothioylamino)-4,6-dimethylpyridine-3-carboxylic acid Traditional Name: 4,6-dimethyl-2-thioureido-nicotinic acid Formula: C9H11N3O2S MolecularWeight: 225.26754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)O)NC(=S)N)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O)NC(=S)N)C

InChI

InChI=1S/C9H11N3O2S/c1-4-3-5(2)11-7(12-9(10)15)6(4)8(13)14/h3H,1-2H3,(H,13,14)(H3,10,11,12,15)