4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-(2-amino-2-oxo-ethyl)sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[(2-amino-2-oxoethyl)thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-(2-amino-2-oxoethyl)sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[(2-amino-2-keto-ethyl)thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C9H11N3O3S MolecularWeight: 241.26694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)N)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)N)C(=O)O

InChI

InChI=1S/C9H11N3O3S/c1-4-7(9(14)15)8(12-5(2)11-4)16-3-6(10)13/h3H2,1-2H3,(H2,10,13)(H,14,15)