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

Systemtic Name: 3-[(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-[[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-N-(3-pyridylmethyl)benzamide CAS Name: 3-[[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]methyl]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-[(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanylmethyl]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-[[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]methyl]-N-(3-pyridylmethyl)benzamide Formula: C23H24ClN5OS MolecularWeight: 453.98756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCC4=CN=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NCC4=CN=CC=C4)Cl

InChI

InChI=1S/C23H24ClN5OS/c24-20-13-21(29-10-2-1-3-11-29)28-23(27-20)31-16-17-6-4-8-19(12-17)22(30)26-15-18-7-5-9-25-14-18/h4-9,12-14H,1-3,10-11,15-16H2,(H,26,30)