2-[4-chloranyl-6-[4-(4-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-chloranyl-6-[4-(4-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-chloro-6-[4-(4-chlorobenzoyl)-3-methyl-piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholino-ethanone CAS Name: 2-[[4-chloro-6-[4-[(4-chlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-pyrimidinyl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-chloro-6-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[4-chloro-6-[4-(4-chlorobenzoyl)-3-methyl-piperazino]pyrimidin-2-yl]thio]-1-morpholino-ethanone Formula: C22H25Cl2N5O3S MolecularWeight: 510.4366

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C3=CC(=NC(=N3)SCC(=O)N4CCOCC4)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C3=CC(=NC(=N3)SCC(=O)N4CCOCC4)Cl

InChI

InChI=1S/C22H25Cl2N5O3S/c1-15-13-28(6-7-29(15)21(31)16-2-4-17(23)5-3-16)19-12-18(24)25-22(26-19)33-14-20(30)27-8-10-32-11-9-27/h2-5,12,15H,6-11,13-14H2,1H3