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

Systemtic Name: 4-[2-(azetidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(azetidin-1-yl)-2-oxo-ethyl]sulfanyl-2,6-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(1-azetidinyl)-2-oxoethyl]thio]-2,6-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-2,6-dimethylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(azetidin-1-yl)-2-keto-ethyl]thio]-2,6-dimethyl-pyrimidine-5-carboxylic acid Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)SCC(=O)N2CCC2)C(=O)O

Isomeric SMILES

CC1=C(C(=NC(=N1)C)SCC(=O)N2CCC2)C(=O)O

InChI

InChI=1S/C12H15N3O3S/c1-7-10(12(17)18)11(14-8(2)13-7)19-6-9(16)15-4-3-5-15/h3-6H2,1-2H3,(H,17,18)