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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)CC=CC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C/C=C/C4=CC=CC=C4

InChI

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