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

Systemtic Name: 2-[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[4-(4-benzyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[4-(4-benzylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[4-(4-benzylpiperidino)-6-chloro-pyrimidin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C24H31ClN4OS MolecularWeight: 459.04714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC(=CC(=N2)Cl)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H31ClN4OS/c25-21-16-22(29-13-11-19(12-14-29)15-18-7-3-1-4-8-18)28-24(27-21)31-17-23(30)26-20-9-5-2-6-10-20/h1,3-4,7-8,16,19-20H,2,5-6,9-15,17H2,(H,26,30)