ethyl 1-[2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C19H27ClN4O3S MolecularWeight: 426.96068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCCCC3

InChI

InChI=1S/C19H27ClN4O3S/c1-2-27-18(26)14-7-6-10-24(12-14)17(25)13-28-19-21-15(20)11-16(22-19)23-8-4-3-5-9-23/h11,14H,2-10,12-13H2,1H3