3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

Systemtic Name: 3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide Openeye Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-[3-(2-methyl-1-piperidyl)propyl]benzamide CAS Name: 3-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]-N-[3-(2-methyl-1-piperidinyl)propyl]benzamide IUPAC Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide Traditional Name: 3-[[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]-N-[3-(2-methylpiperidino)propyl]benzamide Formula: C23H32ClN5OS MolecularWeight: 462.05108

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CCCNC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N(C)C

Isomeric SMILES

CC1CCCCN1CCCNC(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N(C)C

InChI

InChI=1S/C23H32ClN5OS/c1-17-8-4-5-12-29(17)13-7-11-25-22(30)19-10-6-9-18(14-19)16-31-23-26-20(24)15-21(27-23)28(2)3/h6,9-10,14-15,17H,4-5,7-8,11-13,16H2,1-3H3,(H,25,30)