2-[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholin-4-yl-ethanone Openeye Name: 2-[4-chloro-6-[4-[(E)-cinnamyl]piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholino-ethanone CAS Name: 2-[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-2-pyrimidinyl]thio]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-morpholin-4-ylethanone Traditional Name: 2-[[4-chloro-6-[4-[(E)-cinnamyl]piperazino]pyrimidin-2-yl]thio]-1-morpholino-ethanone Formula: C23H28ClN5O2S MolecularWeight: 474.01872

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC=CC2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)N4CCOCC4)Cl

Isomeric SMILES

C1CN(CCN1C/C=C/C2=CC=CC=C2)C3=CC(=NC(=N3)SCC(=O)N4CCOCC4)Cl

InChI

InChI=1S/C23H28ClN5O2S/c24-20-17-21(26-23(25-20)32-18-22(30)29-13-15-31-16-14-29)28-11-9-27(10-12-28)8-4-7-19-5-2-1-3-6-19/h1-7,17H,8-16,18H2/b7-4+