[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 5-chloranyl-2-methylsulfanyl-pyrimidine-4-carboxylate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 5-chloro-2-methylsulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-(methylthio)-4-pyrimidinecarboxylic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 5-chloro-2-methylsulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-(methylthio)pyrimidine-4-carboxylic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C14H18ClN3O3S MolecularWeight: 343.82902

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=NC(=NC=C2Cl)SC

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=NC(=NC=C2Cl)SC

InChI

InChI=1S/C14H18ClN3O3S/c1-9-4-3-5-18(7-9)11(19)8-21-13(20)12-10(15)6-16-14(17-12)22-2/h6,9H,3-5,7-8H2,1-2H3