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

Systemtic Name: 4-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-ethoxy-benzamide Openeye Name: 4-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-ethoxy-benzamide CAS Name: 4-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-ethoxybenzamide IUPAC Name: 4-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-ethoxybenzamide Traditional Name: 4-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]-N-ethoxy-benzamide Formula: C19H23ClN4O2S MolecularWeight: 406.92952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN4O2S/c1-2-26-23-18(25)15-8-6-14(7-9-15)13-27-19-21-16(20)12-17(22-19)24-10-4-3-5-11-24/h6-9,12H,2-5,10-11,13H2,1H3,(H,23,25)