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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C3=CC=CC=C3Cl

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(CC2)C3=CC=CC=C3Cl

InChI

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