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

Systemtic Name: 2-[4-chloranyl-6-[4-(4-methoxyphenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)ethanamide Openeye Name: 2-[4-chloro-6-[4-(4-methoxybenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide CAS Name: 2-[[4-chloro-6-[4-[(4-methoxyphenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[4-chloro-6-[4-(4-methoxybenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide Traditional Name: 2-[[4-chloro-6-(3-methyl-4-p-anisoyl-piperazino)pyrimidin-2-yl]thio]-N-(2-fluorophenyl)acetamide Formula: C25H25ClFN5O3S MolecularWeight: 530.014103

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)OC)C3=CC(=NC(=N3)SCC(=O)NC4=CC=CC=C4F)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)OC)C3=CC(=NC(=N3)SCC(=O)NC4=CC=CC=C4F)Cl

InChI

InChI=1S/C25H25ClFN5O3S/c1-16-14-31(11-12-32(16)24(34)17-7-9-18(35-2)10-8-17)22-13-21(26)29-25(30-22)36-15-23(33)28-20-6-4-3-5-19(20)27/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,28,33)