5-chloranyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidine-4-carboxylic acid

Systemtic Name: 5-chloranyl-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-pyrimidine-4-carboxylic acid Openeye Name: 5-chloro-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-pyrimidine-4-carboxylic acid CAS Name: 5-chloro-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-pyrimidinecarboxylic acid IUPAC Name: 5-chloro-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-4-carboxylic acid Traditional Name: 5-chloro-2-[(2-keto-2-piperidino-ethyl)thio]pyrimidine-4-carboxylic acid Formula: C12H14ClN3O3S MolecularWeight: 315.77586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC=C(C(=N2)C(=O)O)Cl

InChI

InChI=1S/C12H14ClN3O3S/c13-8-6-14-12(15-10(8)11(18)19)20-7-9(17)16-4-2-1-3-5-16/h6H,1-5,7H2,(H,18,19)