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

Systemtic Name: 2-[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)ethanamide Openeye Name: 2-[4-(4-benzyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-[2-(1-piperidyl)ethyl]acetamide CAS Name: 2-[[4-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]thio]-N-[2-(1-piperidinyl)ethyl]acetamide IUPAC Name: 2-[4-(4-benzylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(2-piperidin-1-ylethyl)acetamide Traditional Name: 2-[[4-(4-benzylpiperidino)-6-chloro-pyrimidin-2-yl]thio]-N-(2-piperidinoethyl)acetamide Formula: C25H34ClN5OS MolecularWeight: 488.08836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)CCNC(=O)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H34ClN5OS/c26-22-18-23(31-14-9-21(10-15-31)17-20-7-3-1-4-8-20)29-25(28-22)33-19-24(32)27-11-16-30-12-5-2-6-13-30/h1,3-4,7-8,18,21H,2,5-6,9-17,19H2,(H,27,32)