5-chloranyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylpyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]pyrimidine-4-carboxylic acid Formula: C13H16ClN3O3S MolecularWeight: 329.80244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C13H16ClN3O3S/c1-8-2-4-17(5-3-8)10(18)7-21-13-15-6-9(14)11(16-13)12(19)20/h6,8H,2-5,7H2,1H3,(H,19,20)