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

Systemtic Name: 2-[4-chloranyl-6-[4-(3-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[4-chloro-6-[4-(3-fluorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[4-chloro-6-[4-[(3-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[4-chloro-6-[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[4-chloro-6-[4-(3-fluorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-isopropyl-acetamide Formula: C21H25ClFN5O2S MolecularWeight: 465.971903

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)F)C3=CC(=NC(=N3)SCC(=O)NC(C)C)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)F)C3=CC(=NC(=N3)SCC(=O)NC(C)C)Cl

InChI

InChI=1S/C21H25ClFN5O2S/c1-13(2)24-19(29)12-31-21-25-17(22)10-18(26-21)27-7-8-28(14(3)11-27)20(30)15-5-4-6-16(23)9-15/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H,24,29)