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

Systemtic Name: 2-(4-chloranyl-6-piperidin-1-yl-pyrimidin-2-yl)sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone Openeye Name: 2-[4-chloro-6-(1-piperidyl)pyrimidin-2-yl]sulfanyl-1-[4-[(E)-cinnamyl]piperazin-1-yl]ethanone CAS Name: 2-[[4-chloro-6-(1-piperidinyl)-2-pyrimidinyl]thio]-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-chloro-6-piperidin-1-ylpyrimidin-2-yl)sulfanyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone Traditional Name: 2-[(4-chloro-6-piperidino-pyrimidin-2-yl)thio]-1-[4-[(E)-cinnamyl]piperazino]ethanone Formula: C24H30ClN5OS MolecularWeight: 472.0459

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)CC=CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(CC1)C2=CC(=NC(=N2)SCC(=O)N3CCN(CC3)C/C=C/C4=CC=CC=C4)Cl

InChI

InChI=1S/C24H30ClN5OS/c25-21-18-22(29-12-5-2-6-13-29)27-24(26-21)32-19-23(31)30-16-14-28(15-17-30)11-7-10-20-8-3-1-4-9-20/h1,3-4,7-10,18H,2,5-6,11-17,19H2/b10-7+