2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]-N-[1-(phenylmethyl)-4-piperidinyl]acetamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]acetamide Formula: C22H28ClN5OS MolecularWeight: 446.00862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)NC3CCN(CC3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)NC3CCN(CC3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H28ClN5OS/c23-19-14-20(28-10-4-5-11-28)26-22(25-19)30-16-21(29)24-18-8-12-27(13-9-18)15-17-6-2-1-3-7-17/h1-3,6-7,14,18H,4-5,8-13,15-16H2,(H,24,29)