2,4-dimethyl-6-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2,4-dimethyl-6-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2,4-dimethyl-6-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2,4-dimethyl-6-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2,4-dimethyl-6-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-keto-1-methyl-2-(propargylamino)ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S/c1-5-6-14-11(17)8(3)20-12-10(13(18)19)7(2)15-9(4)16-12/h1,8H,6H2,2-4H3,(H,14,17)(H,18,19)