2-[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-chloranyl-6-[4-(phenylmethyl)piperidin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-(4-benzyl-1-piperidyl)-6-chloro-pyrimidin-2-yl]sulfanyl-1-morpholino-ethanone CAS Name: 2-[[4-chloro-6-[4-(phenylmethyl)-1-piperidinyl]-2-pyrimidinyl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-(4-benzylpiperidin-1-yl)-6-chloropyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[4-(4-benzylpiperidino)-6-chloro-pyrimidin-2-yl]thio]-1-morpholino-ethanone Formula: C22H27ClN4O2S MolecularWeight: 446.99338

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)N4CCOCC4)Cl

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)N4CCOCC4)Cl

InChI

InChI=1S/C22H27ClN4O2S/c23-19-15-20(25-22(24-19)30-16-21(28)27-10-12-29-13-11-27)26-8-6-18(7-9-26)14-17-4-2-1-3-5-17/h1-5,15,18H,6-14,16H2