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

Systemtic Name: 2-ethyl-4-methyl-6-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[[2-keto-2-(propargylamino)ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=O)NCC#C)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=O)NCC#C)C(=O)O)C

InChI

InChI=1S/C13H15N3O3S/c1-4-6-14-10(17)7-20-12-11(13(18)19)8(3)15-9(5-2)16-12/h1H,5-7H2,2-3H3,(H,14,17)(H,18,19)