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

Systemtic Name: 2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)ethanamide Openeye Name: 2-[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanyl-N-(1-methyl-3-phenyl-propyl)acetamide CAS Name: 2-[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]-N-(4-phenylbutan-2-yl)acetamide IUPAC Name: 2-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide Traditional Name: 2-[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]-N-(1-methyl-3-phenyl-propyl)acetamide Formula: C21H27ClN4OS MolecularWeight: 418.98328

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCCCC3

Isomeric SMILES

CC(CCC1=CC=CC=C1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCCCC3

InChI

InChI=1S/C21H27ClN4OS/c1-16(10-11-17-8-4-2-5-9-17)23-20(27)15-28-21-24-18(22)14-19(25-21)26-12-6-3-7-13-26/h2,4-5,8-9,14,16H,3,6-7,10-13,15H2,1H3,(H,23,27)