[3-[[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-ethylpiperazin-1-yl)methanone

Systemtic Name: [3-[[4-chloranyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-ethylpiperazin-1-yl)methanone Openeye Name: [3-[[4-chloro-6-[4-[(E)-cinnamyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-ethylpiperazin-1-yl)methanone CAS Name: [3-[[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-2-pyrimidinyl]thio]methyl]phenyl]-(4-ethyl-1-piperazinyl)methanone IUPAC Name: [3-[[4-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]phenyl]-(4-ethylpiperazin-1-yl)methanone Traditional Name: [3-[[[4-chloro-6-[4-[(E)-cinnamyl]piperazino]pyrimidin-2-yl]thio]methyl]phenyl]-(4-ethylpiperazino)methanone Formula: C31H37ClN6OS MolecularWeight: 577.18308

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)CC=CC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC(=CC=C2)CSC3=NC(=CC(=N3)Cl)N4CCN(CC4)C/C=C/C5=CC=CC=C5

InChI

InChI=1S/C31H37ClN6OS/c1-2-35-14-20-38(21-15-35)30(39)27-12-6-10-26(22-27)24-40-31-33-28(32)23-29(34-31)37-18-16-36(17-19-37)13-7-11-25-8-4-3-5-9-25/h3-12,22-23H,2,13-21,24H2,1H3/b11-7+