ethyl 1-[2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C19H27ClN4O3S MolecularWeight: 426.96068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCCCC3

InChI

InChI=1S/C19H27ClN4O3S/c1-2-27-18(26)14-6-10-24(11-7-14)17(25)13-28-19-21-15(20)12-16(22-19)23-8-4-3-5-9-23/h12,14H,2-11,13H2,1H3