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

Systemtic Name: 2-ethyl-4-methyl-6-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-ethyl-4-methyl-6-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-ethyl-4-methyl-6-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thio]-5-pyrimidinecarboxylic acid IUPAC Name: 2-ethyl-4-methyl-6-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-ethyl-4-[[2-keto-1-methyl-2-(propargylamino)ethyl]thio]-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-5-7-15-12(18)9(4)21-13-11(14(19)20)8(3)16-10(6-2)17-13/h1,9H,6-7H2,2-4H3,(H,15,18)(H,19,20)