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

Systemtic Name: 2-[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[4-(4-benzyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[4-(4-benzylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[4-(4-benzylpiperidino)-6-chloro-pyrimidin-2-yl]thio]-N,N-diethyl-acetamide Formula: C22H29ClN4OS MolecularWeight: 433.00986

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCC(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCC(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29ClN4OS/c1-3-26(4-2)21(28)16-29-22-24-19(23)15-20(25-22)27-12-10-18(11-13-27)14-17-8-6-5-7-9-17/h5-9,15,18H,3-4,10-14,16H2,1-2H3