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

Systemtic Name: 3-[(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]-N-[1-(phenylmethyl)piperidin-4-yl]benzamide Openeye Name: N-(1-benzyl-4-piperidyl)-3-[(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: 3-[[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]methyl]-N-[1-(phenylmethyl)-4-piperidinyl]benzamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-3-[(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: N-(1-benzyl-4-piperidyl)-3-[[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]methyl]benzamide Formula: C28H32ClN5OS MolecularWeight: 522.10458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC3=CC=CC(=C3)C(=O)NC4CCN(CC4)CC5=CC=CC=C5)Cl

InChI

InChI=1S/C28H32ClN5OS/c29-25-18-26(34-13-4-5-14-34)32-28(31-25)36-20-22-9-6-10-23(17-22)27(35)30-24-11-15-33(16-12-24)19-21-7-2-1-3-8-21/h1-3,6-10,17-18,24H,4-5,11-16,19-20H2,(H,30,35)