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

Systemtic Name: 2-[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-chloro-6-[4-[(E)-cinnamyl]piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-2-pyrimidinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-chloro-6-[4-[(E)-cinnamyl]piperazino]pyrimidin-2-yl]thio]-1-pyrrolidino-ethanone Formula: C23H28ClN5OS MolecularWeight: 458.01932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C23H28ClN5OS/c24-20-17-21(26-23(25-20)31-18-22(30)29-11-4-5-12-29)28-15-13-27(14-16-28)10-6-9-19-7-2-1-3-8-19/h1-3,6-9,17H,4-5,10-16,18H2/b9-6+