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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O2S/c1-27-11-8-22-19(26)16-7-5-6-15(12-16)14-28-20-23-17(21)13-18(24-20)25-9-3-2-4-10-25/h5-7,12-13H,2-4,8-11,14H2,1H3,(H,22,26)