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

Systemtic Name: ethyl 4-[2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H24ClN5O3S MolecularWeight: 413.92216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCCC3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCCC3

InChI

InChI=1S/C17H24ClN5O3S/c1-2-26-17(25)23-9-7-22(8-10-23)15(24)12-27-16-19-13(18)11-14(20-16)21-5-3-4-6-21/h11H,2-10,12H2,1H3