2-[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-chloro-6-[4-(o-tolyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholino-ethanone CAS Name: 2-[[4-chloro-6-[4-(2-methylphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-chloro-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[4-chloro-6-[4-(o-tolyl)piperazino]pyrimidin-2-yl]thio]-1-morpholino-ethanone Formula: C21H26ClN5O2S MolecularWeight: 447.98144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N4CCOCC4)Cl

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3=CC(=NC(=N3)SCC(=O)N4CCOCC4)Cl

InChI

InChI=1S/C21H26ClN5O2S/c1-16-4-2-3-5-17(16)25-6-8-26(9-7-25)19-14-18(22)23-21(24-19)30-15-20(28)27-10-12-29-13-11-27/h2-5,14H,6-13,15H2,1H3