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

Systemtic Name: 3-[[4-chloranyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-ethoxy-benzamide Openeye Name: 3-[[4-chloro-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-ethoxy-benzamide CAS Name: 3-[[[4-chloro-6-(4-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-ethoxybenzamide IUPAC Name: 3-[[4-chloro-6-(4-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-ethoxybenzamide Traditional Name: 3-[[[4-chloro-6-(4-methylpiperidino)pyrimidin-2-yl]thio]methyl]-N-ethoxy-benzamide Formula: C20H25ClN4O2S MolecularWeight: 420.9561

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Descriptors Computed from Structure

Canonical SMILES:

CCONC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)C

Isomeric SMILES

CCONC(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)C

InChI

InChI=1S/C20H25ClN4O2S/c1-3-27-24-19(26)16-6-4-5-15(11-16)13-28-20-22-17(21)12-18(23-20)25-9-7-14(2)8-10-25/h4-6,11-12,14H,3,7-10,13H2,1-2H3,(H,24,26)