2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]-N-phenethyl-acetamide Formula: C19H23ClN4OS MolecularWeight: 390.93012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H23ClN4OS/c20-16-13-17(24-11-5-2-6-12-24)23-19(22-16)26-14-18(25)21-10-9-15-7-3-1-4-8-15/h1,3-4,7-8,13H,2,5-6,9-12,14H2,(H,21,25)