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

Systemtic Name: 2-[4-chloranyl-6-[3-methyl-4-(phenylcarbonyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-N-hexyl-ethanamide Openeye Name: 2-[4-(4-benzoyl-3-methyl-piperazin-1-yl)-6-chloro-pyrimidin-2-yl]sulfanyl-N-hexyl-acetamide CAS Name: 2-[[4-(4-benzoyl-3-methyl-1-piperazinyl)-6-chloro-2-pyrimidinyl]thio]-N-hexylacetamide IUPAC Name: 2-[4-(4-benzoyl-3-methylpiperazin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-N-hexylacetamide Traditional Name: 2-[[4-(4-benzoyl-3-methyl-piperazino)-6-chloro-pyrimidin-2-yl]thio]-N-hexyl-acetamide Formula: C24H32ClN5O2S MolecularWeight: 490.06118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCNC(=O)CSC1=NC(=CC(=N1)Cl)N2CCN(C(C2)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H32ClN5O2S/c1-3-4-5-9-12-26-22(31)17-33-24-27-20(25)15-21(28-24)29-13-14-30(18(2)16-29)23(32)19-10-7-6-8-11-19/h6-8,10-11,15,18H,3-5,9,12-14,16-17H2,1-2H3,(H,26,31)