2-[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethyl-ethanamide

Systemtic Name: 2-[4-chloranyl-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[4-chloro-6-[4-(3-chlorophenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-[4-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N,N-diethylacetamide Traditional Name: 2-[[4-chloro-6-[4-(3-chlorophenyl)piperazino]pyrimidin-2-yl]thio]-N,N-diethyl-acetamide Formula: C20H25Cl2N5OS MolecularWeight: 454.4164

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H25Cl2N5OS/c1-3-25(4-2)19(28)14-29-20-23-17(22)13-18(24-20)27-10-8-26(9-11-27)16-7-5-6-15(21)12-16/h5-7,12-13H,3-4,8-11,14H2,1-2H3