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

Systemtic Name: ethyl 4-[2-[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[4-chloro-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-chloro-6-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[4-chloro-6-(4-methylpiperidino)pyrimidin-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H28ClN5O3S MolecularWeight: 441.97532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)C

InChI

InChI=1S/C19H28ClN5O3S/c1-3-28-19(27)25-10-8-24(9-11-25)17(26)13-29-18-21-15(20)12-16(22-18)23-6-4-14(2)5-7-23/h12,14H,3-11,13H2,1-2H3