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

Systemtic Name: 2-[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-[4-(4-benzyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[4-(4-benzylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[4-(4-benzylpiperidino)-6-chloro-pyrimidin-2-yl]thio]-N-phenethyl-acetamide Formula: C26H29ClN4OS MolecularWeight: 481.05266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H29ClN4OS/c27-23-18-24(31-15-12-22(13-16-31)17-21-9-5-2-6-10-21)30-26(29-23)33-19-25(32)28-14-11-20-7-3-1-4-8-20/h1-10,18,22H,11-17,19H2,(H,28,32)