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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25Cl2N5OS/c1-2-3-7-23-19(28)14-29-20-24-17(22)13-18(25-20)27-10-8-26(9-11-27)16-6-4-5-15(21)12-16/h4-6,12-13H,2-3,7-11,14H2,1H3,(H,23,28)