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

Systemtic Name: ethyl 1-[2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C18H25ClN4O3S MolecularWeight: 412.9341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCCC3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCCC3

InChI

InChI=1S/C18H25ClN4O3S/c1-2-26-17(25)13-5-9-23(10-6-13)16(24)12-27-18-20-14(19)11-15(21-18)22-7-3-4-8-22/h11,13H,2-10,12H2,1H3