2-[4-chloranyl-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)ethanamide

Systemtic Name: 2-[4-chloranyl-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)ethanamide Openeye Name: 2-[4-chloro-6-(3-methyl-4-propanoyl-piperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxopropyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[4-chloro-6-(3-methyl-4-propanoylpiperazin-1-yl)pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-propionyl-piperazino)pyrimidin-2-yl]thio]-N-(2-fluorophenyl)acetamide Formula: C20H23ClFN5O2S MolecularWeight: 451.945323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=CC=C3F)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=CC=C3F)Cl

InChI

InChI=1S/C20H23ClFN5O2S/c1-3-19(29)27-9-8-26(11-13(27)2)17-10-16(21)24-20(25-17)30-12-18(28)23-15-7-5-4-6-14(15)22/h4-7,10,13H,3,8-9,11-12H2,1-2H3,(H,23,28)