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

Systemtic Name: ethyl 1-[2-[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[4-chloro-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[4-chloro-6-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[4-chloro-6-(4-methylpiperidino)pyrimidin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C20H29ClN4O3S MolecularWeight: 440.98726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)C

InChI

InChI=1S/C20H29ClN4O3S/c1-3-28-19(27)15-5-4-8-25(12-15)18(26)13-29-20-22-16(21)11-17(23-20)24-9-6-14(2)7-10-24/h11,14-15H,3-10,12-13H2,1-2H3