2,4-dimethyl-6-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-keto-2-(propargylamino)ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)NCC#C)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)NCC#C)C(=O)O

InChI

InChI=1S/C12H13N3O3S/c1-4-5-13-9(16)6-19-11-10(12(17)18)7(2)14-8(3)15-11/h1H,5-6H2,2-3H3,(H,13,16)(H,17,18)