3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-propan-2-yl-benzamide

Systemtic Name: 3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-propan-2-yl-benzamide Openeye Name: 3-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-benzamide CAS Name: 3-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-propan-2-ylbenzamide IUPAC Name: 3-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-propan-2-ylbenzamide Traditional Name: 3-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]-N-isopropyl-benzamide Formula: C20H25ClN4OS MolecularWeight: 404.9567

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4OS/c1-14(2)22-19(26)16-8-6-7-15(11-16)13-27-20-23-17(21)12-18(24-20)25-9-4-3-5-10-25/h6-8,11-12,14H,3-5,9-10,13H2,1-2H3,(H,22,26)