5-chloranyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[2-(1-piperidin-1-iumyl)ethylthio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-(2-piperidin-1-ium-1-ylethylsulfanyl)pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(2-piperidin-1-ium-1-ylethylthio)pyrimidine-4-carboxylate Formula: C12H16ClN3O2S MolecularWeight: 301.79234

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NC=C(C(=N2)C(=O)[O-])Cl

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NC=C(C(=N2)C(=O)[O-])Cl

InChI

InChI=1S/C12H16ClN3O2S/c13-9-8-14-12(15-10(9)11(17)18)19-7-6-16-4-2-1-3-5-16/h8H,1-7H2,(H,17,18)