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

Systemtic Name: 4-[2-(azetidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(azetidin-1-yl)-2-oxo-ethyl]sulfanyl-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(1-azetidinyl)-2-oxoethyl]thio]-2-ethyl-6-methyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-2-ethyl-6-methylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(azetidin-1-yl)-2-keto-ethyl]thio]-2-ethyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=O)N2CCC2)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=O)N2CCC2)C(=O)O)C

InChI

InChI=1S/C13H17N3O3S/c1-3-9-14-8(2)11(13(18)19)12(15-9)20-7-10(17)16-5-4-6-16/h3-7H2,1-2H3,(H,18,19)