1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone

Systemtic Name: 1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 2-benzylsulfanyl-1-[4-(6-morpholinopyrimidin-4-yl)piperazin-1-yl]ethanone CAS Name: 1-[4-[6-(4-morpholinyl)-4-pyrimidinyl]-1-piperazinyl]-2-(phenylmethylthio)ethanone IUPAC Name: 2-benzylsulfanyl-1-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]ethanone Traditional Name: 2-(benzylthio)-1-[4-(6-morpholinopyrimidin-4-yl)piperazino]ethanone Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=NC=N2)N3CCOCC3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=NC=N2)N3CCOCC3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O2S/c27-21(16-29-15-18-4-2-1-3-5-18)26-8-6-24(7-9-26)19-14-20(23-17-22-19)25-10-12-28-13-11-25/h1-5,14,17H,6-13,15-16H2