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

Systemtic Name: ethyl (3R)-1-[2-[4-chloranyl-6-(diethylamino)pyrimidin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: (3R)-1-[2-[[4-chloro-6-(diethylamino)-2-pyrimidinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-[4-chloro-6-(diethylamino)pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[2-[[4-chloro-6-(diethylamino)pyrimidin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C18H27ClN4O3S MolecularWeight: 414.94998

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCCC(C2)C(=O)OCC)Cl

Isomeric SMILES

CCN(CC)C1=CC(=NC(=N1)SCC(=O)N2CCC[C@H](C2)C(=O)OCC)Cl

InChI

InChI=1S/C18H27ClN4O3S/c1-4-22(5-2)15-10-14(19)20-18(21-15)27-12-16(24)23-9-7-8-13(11-23)17(25)26-6-3/h10,13H,4-9,11-12H2,1-3H3/t13-/m1/s1