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

Systemtic Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloranyl-pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-(4-butanoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide CAS Name: 2-[[4-chloro-6-[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-2-pyrimidinyl]thio]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-(4-butanoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-(4-fluorophenyl)acetamide Traditional Name: 2-[[4-(4-butyryl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-(4-fluorophenyl)acetamide Formula: C21H25ClFN5O2S MolecularWeight: 465.971903

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)F)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1C)C2=CC(=NC(=N2)SCC(=O)NC3=CC=C(C=C3)F)Cl

InChI

InChI=1S/C21H25ClFN5O2S/c1-3-4-20(30)28-10-9-27(12-14(28)2)18-11-17(22)25-21(26-18)31-13-19(29)24-16-7-5-15(23)6-8-16/h5-8,11,14H,3-4,9-10,12-13H2,1-2H3,(H,24,29)