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

Systemtic Name: 2-[4-chloranyl-6-[4-(3-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(3-fluorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(1,2-dimethylpropyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[(3-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(3-methylbutan-2-yl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(3-methylbutan-2-yl)acetamide Traditional Name: 2-[[4-chloro-6-[4-(3-fluorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-N-(1,2-dimethylpropyl)acetamide Formula: C23H29ClFN5O2S MolecularWeight: 494.025063

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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(C)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClFN5O2S/c1-14(2)16(4)26-21(31)13-33-23-27-19(24)11-20(28-23)29-8-9-30(15(3)12-29)22(32)17-6-5-7-18(25)10-17/h5-7,10-11,14-16H,8-9,12-13H2,1-4H3,(H,26,31)