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

Systemtic Name: ethyl 1-[2-(4-chloranyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-chloro-6-morpholino-pyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[[4-chloro-6-(4-morpholinyl)-2-pyrimidinyl]thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(4-chloro-6-morpholino-pyrimidin-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C18H25ClN4O4S MolecularWeight: 428.9335

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCOCC3

InChI

InChI=1S/C18H25ClN4O4S/c1-2-27-17(25)13-4-3-5-23(11-13)16(24)12-28-18-20-14(19)10-15(21-18)22-6-8-26-9-7-22/h10,13H,2-9,11-12H2,1H3