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

Systemtic Name: 4-[2-(azetidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-2-propan-2-yl-pyrimidine-5-carboxylic acid Openeye Name: 4-[2-(azetidin-1-yl)-2-oxo-ethyl]sulfanyl-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid CAS Name: 4-[[2-(1-azetidinyl)-2-oxoethyl]thio]-6-methyl-2-propan-2-yl-5-pyrimidinecarboxylic acid IUPAC Name: 4-[2-(azetidin-1-yl)-2-oxoethyl]sulfanyl-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid Traditional Name: 4-[[2-(azetidin-1-yl)-2-keto-ethyl]thio]-2-isopropyl-6-methyl-pyrimidine-5-carboxylic acid Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O3S/c1-8(2)12-15-9(3)11(14(19)20)13(16-12)21-7-10(18)17-5-4-6-17/h8H,4-7H2,1-3H3,(H,19,20)