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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29ClFN5O2S/c1-15(2)8-9-26-21(31)14-33-23-27-19(24)12-20(28-23)29-10-11-30(16(3)13-29)22(32)17-4-6-18(25)7-5-17/h4-7,12,15-16H,8-11,13-14H2,1-3H3,(H,26,31)